NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
625895 | 5vfk | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 3: all.tbl assign (resid 86 and name HZ2) (resid 86 and name HE1) 2.65 0.85 0.85 ! 0.0000 0:10 Intra 2.80, 2.83 A assign (resid 86 and name HN) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.0000 2:10 Intra 4.42, 4.50 A assign (resid 86 and name HA) (resid 86 and name HE1) 4.15 2.35 2.35 ! 0.8804 3:10 Ambig 5.72, 5.79 A or (resid 87 and name HA) (resid 86 and name HE1) ! 0.0695 3:10 ----- 8.73, 8.86 A assign (resid 63 and name HA) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.9857 4:10 Long 4.69, 4.88 A assign (resid 64 and name HA) (resid 86 and name HE1) 4.15 2.35 2.35 ! 0.4401 5:10 Ambig 6.50, 6.77 A or (resid 85 and name HA) (resid 86 and name HE1) ! 0.2567 5:10 ----- 7.11, 7.25 A or (resid 60 and name HA) (resid 86 and name HE1) ! 0.2534 5:10 ----- 7.13, 7.27 A assign (resid 86 and name HB2) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.0000 6:10 Intra 4.66, 4.71 A assign (resid 84 and name HG*) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.0000 7:10 Mid 4.57, 6.01 A assign (resid 84 and name HB*) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.0000 8:10 Mid 3.89, 4.65 A assign (resid 85 and name HB1) (resid 86 and name HE1) 4.15 2.35 2.35 ! 0.6849 9:10 Ambig 5.94, 6.28 A or (resid 89 and name HD*) (resid 86 and name HE1) ! 0.2055 9:10 ----- 7.26, 8.47 A or (resid 64 and name HB) (resid 86 and name HE1) ! 0.0585 9:10 ----- 8.95, 9.12 A assign (resid 85 and name HG1) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.9372 10:10 Seq 4.02, 4.35 A assign (resid 85 and name HG2) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.9532 11:10 Seq 3.51, 3.83 A assign (resid 63 and name HB1) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.9747 12:10 Long 3.72, 3.80 A assign (resid 63 and name HB2) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.9110 13:10 Long 5.44, 5.51 A assign (resid 63 and name HD2*) (resid 86 and name HE1) 3.15 1.35 1.35 ! 0.0000 14:10 Long 2.91, 4.14 A assign (resid 63 and name HD1*) (resid 86 and name HE1) 3.15 1.35 1.35 ! 0.0000 15:10 Long 4.12, 5.19 A assign (resid 73 and name HN) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.0000 17:10 Seq 4.40, 4.52 A assign (resid 79 and name HD*) (resid 72 and name HN) 3.15 1.35 1.35 ! 0.0000 18:10 Long 3.78, 5.60 A assign (resid 48 and name HN) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.0000 19:10 Mid 4.23, 4.31 A assign (resid 71 and name HA) (resid 72 and name HN) 2.30 0.50 0.50 ! 0.9913 20:10 Seq 2.07, 2.17 A assign (resid 123 and name HA) (resid 72 and name HN) 3.15 1.35 1.35 ! 0.9579 21:10 Long 2.83, 3.16 A assign (resid 45 and name HA) (resid 46 and name HN) 2.30 0.50 0.50 ! 0.9999 22:10 Seq 2.02, 2.06 A assign (resid 70 and name HB1) (resid 72 and name HN) 4.15 2.35 2.35 ! 0.0000 23:10 Mid 4.99, 5.28 A assign (resid 72 and name HA) (resid 72 and name HN) 3.15 1.35 1.35 ! 0.0000 24:10 Intra 2.84, 2.88 A assign (resid 46 and name HA) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.0000 25:10 Intra 2.76, 2.80 A assign (resid 72 and name HE*) (resid 72 and name HN) 4.15 2.35 2.35 ! 0.9080 26:10 Intra 6.27, 6.76 A assign (resid 79 and name HB1) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.8276 27:10 Ambig 5.07, 5.33 A or (resid 79 and name HB2) (resid 72 and name HN) ! 0.1724 27:10 ----- 6.59, 6.80 A assign (resid 45 and name HE*) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.9583 28:10 Seq 3.86, 5.00 A assign (resid 47 and name HB2) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.0000 29:10 Seq 4.67, 4.84 A assign (resid 48 and name HG1) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.6729 30:10 Ambig 5.38, 5.64 A or (resid 47 and name HB1) (resid 46 and name HN) ! 0.3271 30:10 ----- 6.06, 6.19 A assign (resid 72 and name HB1) (resid 72 and name HN) 2.65 0.85 0.85 ! 0.8026 31:10 Ambig 2.53, 2.67 A or (resid 122 and name HB) (resid 72 and name HN) ! 0.1452 31:10 ----- 3.36, 3.81 A assign (resid 72 and name HB2) (resid 72 and name HN) 2.30 0.50 0.50 ! 0.9870 32:10 Intra 2.16, 2.55 A assign (resid 46 and name HB1) (resid 46 and name HN) 2.30 0.50 0.50 ! 0.5730 33:10 Ambig 2.35, 2.44 A or (resid 46 and name HB2) (resid 46 and name HN) ! 0.4242 33:10 ----- 2.47, 2.58 A assign (resid 46 and name HD1) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.2881 34:10 Ambig 4.68, 4.78 A or (resid 45 and name HD*) (resid 46 and name HN) ! 0.2806 34:10 ----- 4.70, 5.83 A or (resid 46 and name HD2) (resid 46 and name HN) ! 0.2796 34:10 ----- 4.70, 4.99 A or (resid 44 and name HB) (resid 46 and name HN) ! 0.1444 34:10 ----- 5.25, 5.45 A assign (resid 71 and name HG2*) (resid 72 and name HN) 2.30 0.50 0.50 ! 0.5672 35:10 Ambig 2.92, 3.69 A or (resid 123 and name HD2*) (resid 72 and name HN) ! 0.2176 35:10 ----- 3.43, 4.91 A or (resid 122 and name HG2*) (resid 72 and name HN) ! 0.0849 35:10 ----- 4.01, 5.47 A or (resid 72 and name HG2) (resid 72 and name HN) ! 0.0690 35:10 ----- 4.15, 4.43 A assign (resid 45 and name HG*) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.6117 36:10 Ambig 3.76, 4.64 A or (resid 46 and name HG2) (resid 46 and name HN) ! 0.2516 36:10 ----- 4.36, 4.45 A or (resid 32 and name HB2) (resid 46 and name HN) ! 0.0658 36:10 ----- 5.45, 5.62 A assign (resid 32 and name HG) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.9069 37:10 Long 5.05, 5.29 A assign (resid 32 and name HD1*) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.6487 38:10 Ambig 2.61, 3.69 A or (resid 32 and name HD2*) (resid 46 and name HN) ! 0.3090 38:10 ----- 2.95, 3.94 A assign (resid 34 and name HN) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.0000 39:10 Seq 4.34, 4.44 A assign (resid 42 and name HN) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.9884 40:10 Seq 4.14, 4.28 A assign (resid 61 and name HN) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.9629 41:10 Intra 4.58, 4.67 A assign (resid 36 and name HN) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.9267 42:10 Seq 4.40, 4.44 A assign (resid 55 and name HN) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.0000 43:10 Long 4.86, 5.13 A assign (resid 58 and name HN) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.9668 44:10 Mid 3.84, 4.07 A assign (resid 61 and name HZ2) (resid 61 and name HE1) 3.15 1.35 1.35 ! 0.9729 45:10 Intra 2.81, 2.84 A assign (resid 61 and name HH2) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.0000 46:10 Intra 4.94, 4.98 A assign (resid 61 and name HD1) (resid 61 and name HE1) 2.65 0.85 0.85 ! 0.0000 47:10 Intra 2.54, 2.56 A assign (resid 20 and name HN) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.6603 48:10 Ambig 3.42, 3.83 A or (resid 35 and name HE) (resid 35 and name HN) ! 0.3397 48:10 ----- 3.82, 4.42 A assign (resid 41 and name HD*) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.9779 49:10 Long 3.52, 5.74 A assign (resid 41 and name HE*) (resid 35 and name HN) 4.15 2.35 2.35 ! 0.9535 50:10 Long 3.74, 6.06 A assign (resid 42 and name HD2) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.9608 51:10 Seq 3.72, 4.20 A assign (resid 56 and name HA) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.0000 53:10 Long 4.88, 4.97 A assign (resid 41 and name HA) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.0000 54:10 Long 4.67, 4.86 A assign (resid 42 and name HA) (resid 43 and name HN) 2.30 0.50 0.50 ! 0.0000 55:10 Seq 2.09, 2.14 A assign (resid 61 and name HA) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.0000 56:10 Intra 4.84, 4.91 A assign (resid 54 and name HA) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.0000 57:10 Long 4.69, 5.14 A assign (resid 57 and name HD1) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.5308 58:10 Ambig 5.83, 5.89 A or (resid 60 and name HA) (resid 61 and name HE1) ! 0.1600 58:10 ----- 7.12, 7.22 A or (resid 52 and name HA) (resid 61 and name HE1) ! 0.1489 58:10 ----- 7.20, 7.52 A or (resid 90 and name HA) (resid 61 and name HE1) ! 0.0659 58:10 ----- 8.25, 8.49 A assign (resid 43 and name HA) (resid 43 and name HN) 2.65 0.85 0.85 ! 0.9953 60:10 Intra 2.86, 2.88 A assign (resid 53 and name HA) (resid 61 and name HE1) 3.15 1.35 1.35 ! 0.9855 63:10 Long 2.70, 3.13 A assign (resid 53 and name HB1) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.9158 64:10 Long 3.25, 4.44 A assign (resid 35 and name HA) (resid 35 and name HN) 3.15 1.35 1.35 ! 0.0000 65:10 Intra 2.84, 2.90 A assign (resid 35 and name HD1) (resid 35 and name HN) 4.15 2.35 2.35 ! 0.8914 66:10 Ambig 5.16, 5.84 A or (resid 18 and name HD1) (resid 35 and name HN) ! 0.0652 66:10 ----- 7.97, 8.53 A assign (resid 42 and name HB*) (resid 43 and name HN) 3.15 1.35 1.35 ! 0.9885 67:10 Seq 4.07, 4.20 A assign (resid 57 and name HB1) (resid 61 and name HE1) 4.15 2.35 2.35 ! 0.0000 69:10 Mid 6.01, 6.11 A assign (resid 53 and name HB2) (resid 61 and name HE1) 3.15 1.35 1.35 ! 0.0000 70:10 Long 3.38, 3.73 A assign (resid 35 and name HD2) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.7415 71:10 Ambig 4.78, 5.16 A or (resid 31 and name HE*) (resid 35 and name HN) ! 0.2321 71:10 ----- 5.80, 9.10 A assign (resid 41 and name HB1) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 72:10 Mid 4.89, 5.20 A assign (resid 33 and name HE*) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.8322 73:10 Ambig 4.13, 7.16 A or (resid 41 and name HB2) (resid 43 and name HN) ! 0.1678 73:10 ----- 5.39, 5.81 A assign (resid 58 and name HA) (resid 61 and name HE1) 3.15 1.35 1.35 ! 0.9671 75:10 Mid 2.81, 2.97 A assign (resid 56 and name HG12) (resid 61 and name HE1) 3.15 1.35 1.35 ! 0.8340 76:10 Ambig 3.99, 4.08 A or (resid 57 and name HB2) (resid 61 and name HE1) ! 0.1251 76:10 ----- 5.47, 5.62 A assign (resid 20 and name HG1) (resid 35 and name HN) 3.15 1.35 1.35 ! 0.9998 77:10 Long 2.09, 2.47 A assign (resid 20 and name HG2) (resid 35 and name HN) 2.65 0.85 0.85 ! 0.8374 78:10 Ambig 1.81, 2.26 A or (resid 34 and name HB) (resid 35 and name HN) ! 0.1546 78:10 ----- 2.40, 2.61 A assign (resid 43 and name HG1) (resid 43 and name HN) 3.15 1.35 1.35 ! 0.9997 79:10 Intra 2.43, 2.76 A assign (resid 43 and name HG2) (resid 43 and name HN) 3.15 1.35 1.35 ! 0.9888 80:10 Intra 3.37, 3.75 A assign (resid 43 and name HB2) (resid 43 and name HN) 2.30 0.50 0.50 ! 0.7010 81:10 Ambig 2.35, 2.45 A or (resid 43 and name HB1) (resid 43 and name HN) ! 0.2987 81:10 ----- 2.71, 3.53 A assign (resid 56 and name HG11) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.8070 84:10 Ambig 5.44, 5.51 A or (resid 28 and name HG) (resid 61 and name HE1) ! 0.1006 84:10 ----- 7.69, 8.12 A assign (resid 56 and name HG2*) (resid 61 and name HE1) 3.15 1.35 1.35 ! 0.9820 85:10 Long 2.28, 3.38 A assign (resid 56 and name HD1*) (resid 61 and name HE1) 3.15 1.35 1.35 ! 0.6243 86:10 Ambig 4.91, 5.83 A or (resid 60 and name HG) (resid 61 and name HE1) ! 0.1384 86:10 ----- 6.31, 6.42 A or (resid 24 and name HG12) (resid 61 and name HE1) ! 0.0784 86:10 ----- 6.93, 7.31 A or (resid 94 and name HD2*) (resid 61 and name HE1) ! 0.0705 86:10 ----- 7.06, 8.13 A assign (resid 35 and name HB*) (resid 35 and name HN) 2.30 0.50 0.50 ! 0.9991 87:10 Intra 2.27, 2.56 A assign (resid 19 and name HB*) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.9375 88:10 Long 4.16, 5.56 A assign (resid 34 and name HG2*) (resid 35 and name HN) 2.65 0.85 0.85 ! 0.5993 89:10 Ambig 3.55, 4.38 A or (resid 34 and name HD1*) (resid 35 and name HN) ! 0.3769 89:10 ----- 3.84, 4.60 A assign (resid 33 and name HG1) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.9492 90:10 Long 3.85, 4.65 A assign (resid 44 and name HG1*) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.7276 91:10 Ambig 5.10, 5.70 A or (resid 36 and name HD1*) (resid 43 and name HN) ! 0.2519 91:10 ----- 6.09, 7.58 A assign (resid 44 and name HD1*) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.4704 92:10 Ambig 5.32, 7.61 A or (resid 34 and name HD1*) (resid 43 and name HN) ! 0.3413 92:10 ----- 5.62, 6.43 A or (resid 34 and name HG2*) (resid 43 and name HN) ! 0.0591 92:10 ----- 7.52, 8.53 A or (resid 44 and name HG2*) (resid 43 and name HN) ! 0.0548 92:10 ----- 7.62, 8.06 A assign (resid 24 and name HG2*) (resid 61 and name HE1) 3.15 1.35 1.35 ! 0.8349 94:10 Ambig 4.26, 5.58 A or (resid 28 and name HD1*) (resid 61 and name HE1) ! 0.1651 94:10 ----- 5.58, 6.74 A assign (resid 58 and name HD1*) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.0000 95:10 Mid 5.09, 6.71 A assign (resid 36 and name HD2*) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 96:10 Long 6.32, 7.59 A assign (resid 122 and name HN) (resid 123 and name HN) 3.65 1.85 1.85 ! 0.6912 98:10 Ambig 4.05, 4.25 A or (resid 72 and name HN) (resid 123 and name HN) ! 0.3088 98:10 ----- 4.63, 4.86 A assign (resid 71 and name HN) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.0000 99:10 Seq 4.12, 4.19 A assign (resid 70 and name HN) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.0000 100:10 Long 3.17, 3.36 A assign (resid 121 and name HN) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.9611 101:10 Seq 4.28, 4.35 A assign (resid 121 and name HN) (resid 120 and name HN) 3.65 1.85 1.85 ! 0.9708 102:10 Seq 4.05, 4.14 A assign (resid 124 and name HN) (resid 123 and name HN) 3.15 1.35 1.35 ! 0.0000 103:10 Seq 4.23, 4.39 A assign (resid 30 and name HN) (resid 31 and name HN) 2.65 0.85 0.85 ! 0.9485 104:10 Seq 2.16, 2.28 A assign (resid 32 and name HN) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.0000 105:10 Seq 3.82, 4.00 A assign (resid 70 and name HD*) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.4426 106:10 Ambig 5.50, 6.34 A or (resid 14 and name HE*) (resid 122 and name HN) ! 0.3764 106:10 ----- 5.65, 7.35 A or (resid 120 and name HD*) (resid 122 and name HN) ! 0.1809 106:10 ----- 6.38, 7.45 A assign (resid 79 and name HE*) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.9861 107:10 Long 4.59, 7.05 A assign (resid 120 and name HD*) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.8030 108:10 Ambig 2.84, 4.20 A or (resid 70 and name HD*) (resid 120 and name HN) ! 0.1432 108:10 ----- 3.79, 5.74 A assign (resid 120 and name HE*) (resid 120 and name HN) 4.15 2.35 2.35 ! 0.8388 109:10 Ambig 5.24, 6.20 A or (resid 21 and name HE*) (resid 120 and name HN) ! 0.1612 109:10 ----- 6.90, 9.19 A assign (resid 70 and name HD*) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.9739 110:10 Intra 3.05, 4.11 A assign (resid 79 and name HE*) (resid 70 and name HN) 4.15 2.35 2.35 ! 0.7606 111:10 Ambig 6.01, 8.06 A or (resid 21 and name HE*) (resid 70 and name HN) ! 0.1582 111:10 ----- 7.81, 9.73 A assign (resid 70 and name HA) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.0000 112:10 Intra 2.92, 2.93 A assign (resid 121 and name HA) (resid 122 and name HN) 2.30 0.50 0.50 ! 0.0000 113:10 Seq 2.05, 2.09 A assign (resid 71 and name HA) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.9564 114:10 Long 2.79, 2.98 A assign (resid 69 and name HA) (resid 120 and name HN) 2.65 0.85 0.85 ! 0.5536 115:10 Ambig 2.81, 2.94 A or (resid 120 and name HA) (resid 120 and name HN) ! 0.4452 115:10 ----- 2.92, 2.93 A assign (resid 121 and name HA) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.0000 116:10 Long 2.65, 2.73 A assign (resid 69 and name HA) (resid 70 and name HN) 2.30 0.50 0.50 ! 0.9899 117:10 Seq 2.12, 2.16 A assign (resid 122 and name HA) (resid 122 and name HN) 2.65 0.85 0.85 ! 0.9481 118:10 Intra 2.91, 2.93 A assign (resid 67 and name HA) (resid 120 and name HN) 3.65 1.85 1.85 ! 0.7418 120:10 Ambig 5.37, 5.58 A or (resid 17 and name HA) (resid 120 and name HN) ! 0.1919 120:10 ----- 6.72, 7.03 A assign (resid 122 and name HA) (resid 123 and name HN) 2.65 0.85 0.85 ! 0.8733 121:10 Ambig 2.07, 2.13 A or (resid 123 and name HA) (resid 123 and name HN) ! 0.1256 121:10 ----- 2.85, 2.89 A assign (resid 64 and name HA) (resid 65 and name HN) 2.30 0.50 0.50 ! 0.9993 123:10 Seq 1.98, 2.05 A assign (resid 117 and name HB1) (resid 45 and name HN) 2.65 0.85 0.85 ! 0.9830 124:10 Long 3.01, 3.23 A assign (resid 31 and name HA) (resid 31 and name HN) 2.30 0.50 0.50 ! 0.6710 126:10 Ambig 2.83, 2.87 A or (resid 30 and name HA1) (resid 31 and name HN) ! 0.3033 126:10 ----- 3.24, 3.35 A assign (resid 146 and name HA) (resid 146 and name HN) 3.15 1.35 1.35 ! 0.0000 127:10 Intra 2.63, 2.88 A assign (resid 27 and name HA) (resid 31 and name HN) 2.65 0.85 0.85 ! 0.9413 128:10 Mid 2.56, 2.87 A assign (resid 72 and name HA) (resid 122 and name HN) 4.15 2.35 2.35 ! 0.5629 129:10 Ambig 5.57, 5.78 A or (resid 82 and name HB2) (resid 122 and name HN) ! 0.2564 129:10 ----- 6.35, 6.64 A or (resid 82 and name HB1) (resid 122 and name HN) ! 0.1807 129:10 ----- 6.74, 7.45 A assign (resid 82 and name HB2) (resid 120 and name HN) 4.15 2.35 2.35 ! 0.2639 130:10 Ambig 6.79, 7.41 A or (resid 17 and name HB*) (resid 120 and name HN) ! 0.2027 130:10 ----- 7.09, 8.39 A or (resid 82 and name HB1) (resid 120 and name HN) ! 0.1809 130:10 ----- 7.23, 8.18 A or (resid 112 and name HA) (resid 120 and name HN) ! 0.1480 130:10 ----- 7.48, 7.73 A or (resid 16 and name HB2) (resid 120 and name HN) ! 0.0677 130:10 ----- 8.52, 9.82 A or (resid 16 and name HB1) (resid 120 and name HN) ! 0.0613 130:10 ----- 8.66, 9.96 A assign (resid 18 and name HD1) (resid 120 and name HN) 4.15 2.35 2.35 ! 0.9395 131:10 Long 5.54, 5.77 A assign (resid 125 and name HD*) (resid 123 and name HN) 3.65 1.85 1.85 ! 0.5604 132:10 Ambig 5.27, 6.58 A or (resid 124 and name HB2) (resid 123 and name HN) ! 0.2607 132:10 ----- 5.99, 6.65 A or (resid 124 and name HB1) (resid 123 and name HN) ! 0.1789 132:10 ----- 6.37, 7.02 A assign (resid 44 and name HA) (resid 45 and name HN) 2.30 0.50 0.50 ! 0.9999 134:10 Seq 2.19, 2.26 A assign (resid 86 and name HB2) (resid 65 and name HN) 3.15 1.35 1.35 ! 0.6220 135:10 Ambig 3.81, 4.14 A or (resid 87 and name HB1) (resid 65 and name HN) ! 0.2614 135:10 ----- 4.40, 5.31 A or (resid 86 and name HB1) (resid 65 and name HN) ! 0.1166 135:10 ----- 5.03, 5.35 A assign (resid 30 and name HA2) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.0000 136:10 Seq 3.17, 3.28 A assign (resid 146 and name HB2) (resid 146 and name HN) 3.15 1.35 1.35 ! 0.4605 137:10 Ambig 2.43, 3.00 A or (resid 145 and name HB1) (resid 146 and name HN) ! 0.2214 137:10 ----- 2.75, 3.66 A or (resid 144 and name HB1) (resid 146 and name HN) ! 0.1363 137:10 ----- 2.98, 5.19 A or (resid 142 and name HB1) (resid 146 and name HN) ! 0.1205 137:10 ----- 3.04, 8.10 A assign (resid 28 and name HA) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.8470 138:10 Ambig 5.48, 5.60 A or (resid 25 and name HA) (resid 31 and name HN) ! 0.1530 138:10 ----- 7.28, 7.51 A assign (resid 70 and name HB2) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.9921 139:10 Long 3.90, 4.02 A assign (resid 120 and name HB2) (resid 122 and name HN) 4.15 2.35 2.35 ! 0.8450 140:10 Ambig 5.69, 5.88 A or (resid 72 and name HE*) (resid 122 and name HN) ! 0.0806 140:10 ----- 8.42, 9.21 A assign (resid 120 and name HB1) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.0000 141:10 Intra 3.58, 3.65 A assign (resid 120 and name HB2) (resid 120 and name HN) 2.65 0.85 0.85 ! 0.9834 142:10 Intra 2.41, 2.50 A assign (resid 68 and name HB2) (resid 120 and name HN) 3.65 1.85 1.85 ! 0.9460 143:10 Long 3.73, 3.86 A assign (resid 70 and name HB2) (resid 70 and name HN) 2.30 0.50 0.50 ! 0.8961 147:10 Ambig 2.62, 2.69 A or (resid 70 and name HB1) (resid 70 and name HN) ! 0.1031 147:10 ----- 3.75, 3.80 A assign (resid 79 and name HB1) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.8027 148:10 Ambig 5.59, 5.68 A or (resid 79 and name HB2) (resid 70 and name HN) ! 0.1973 148:10 ----- 7.06, 7.18 A assign (resid 45 and name HE*) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.9986 149:10 Intra 2.72, 3.70 A assign (resid 65 and name HE*) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.9028 150:10 Intra 3.55, 5.24 A assign (resid 29 and name HB1) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.7893 152:10 Ambig 2.95, 3.23 A or (resid 26 and name HB1) (resid 31 and name HN) ! 0.1575 152:10 ----- 3.85, 4.01 A assign (resid 26 and name HB2) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.9528 153:10 Long 5.12, 5.25 A assign (resid 122 and name HB) (resid 122 and name HN) 2.65 0.85 0.85 ! 0.9807 154:10 Intra 2.41, 2.57 A assign (resid 121 and name HB) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.9896 155:10 Seq 4.17, 4.26 A assign (resid 123 and name HG) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.4831 156:10 Ambig 4.91, 5.25 A or (resid 69 and name HG11) (resid 122 and name HN) ! 0.2381 156:10 ----- 5.53, 6.00 A or (resid 71 and name HG11) (resid 122 and name HN) ! 0.1224 156:10 ----- 6.17, 6.35 A or (resid 123 and name HB2) (resid 122 and name HN) ! 0.1197 156:10 ----- 6.20, 6.46 A assign (resid 67 and name HB1) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.8417 157:10 Ambig 4.11, 4.33 A or (resid 69 and name HB) (resid 120 and name HN) ! 0.1209 157:10 ----- 5.68, 5.82 A assign (resid 69 and name HG11) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.3562 158:10 Ambig 3.99, 4.19 A or (resid 119 and name HG12) (resid 120 and name HN) ! 0.3496 158:10 ----- 4.00, 4.15 A or (resid 119 and name HB) (resid 120 and name HN) ! 0.2871 158:10 ----- 4.14, 4.20 A assign (resid 67 and name HB2) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.9486 159:10 Long 3.59, 3.86 A assign (resid 122 and name HB) (resid 123 and name HN) 3.15 1.35 1.35 ! 0.7107 160:10 Ambig 3.92, 4.18 A or (resid 72 and name HB1) (resid 123 and name HN) ! 0.2311 160:10 ----- 4.73, 5.25 A assign (resid 123 and name HG) (resid 123 and name HN) 2.30 0.50 0.50 ! 0.4960 161:10 Ambig 2.33, 2.55 A or (resid 123 and name HB2) (resid 123 and name HN) ! 0.4643 161:10 ----- 2.36, 2.48 A assign (resid 69 and name HB) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.5643 162:10 Ambig 4.15, 4.21 A or (resid 122 and name HB) (resid 70 and name HN) ! 0.3550 162:10 ----- 4.48, 4.80 A assign (resid 121 and name HB) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.7467 163:10 Ambig 5.60, 5.68 A or (resid 67 and name HB2) (resid 70 and name HN) ! 0.2533 163:10 ----- 6.70, 6.98 A assign (resid 121 and name HG11) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.5138 164:10 Ambig 4.51, 4.76 A or (resid 122 and name HG11) (resid 70 and name HN) ! 0.4166 164:10 ----- 4.67, 4.94 A assign (resid 65 and name HB1) (resid 65 and name HN) 3.15 1.35 1.35 ! 0.9126 165:10 Intra 3.51, 3.58 A assign (resid 45 and name HB2) (resid 45 and name HN) 2.65 0.85 0.85 ! 0.9985 166:10 Intra 2.15, 2.25 A assign (resid 31 and name HB1) (resid 31 and name HN) 2.65 0.85 0.85 ! 0.9646 167:10 Intra 3.47, 3.55 A assign (resid 31 and name HB2) (resid 31 and name HN) 2.65 0.85 0.85 ! 0.9993 168:10 Intra 2.17, 2.32 A assign (resid 22 and name HB) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.7872 169:10 Ambig 5.04, 5.27 A or (resid 32 and name HB1) (resid 31 and name HN) ! 0.2128 169:10 ----- 6.27, 6.41 A assign (resid 122 and name HG11) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.5105 170:10 Ambig 3.81, 3.93 A or (resid 72 and name HB2) (resid 122 and name HN) ! 0.3468 170:10 ----- 4.07, 4.64 A or (resid 121 and name HG11) (resid 122 and name HN) ! 0.1195 170:10 ----- 4.86, 4.97 A assign (resid 122 and name HG12) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.0000 171:10 Intra 2.39, 2.53 A assign (resid 121 and name HG2*) (resid 122 and name HN) 2.65 0.85 0.85 ! 0.9785 172:10 Seq 2.71, 3.61 A assign (resid 71 and name HD1*) (resid 122 and name HN) 2.65 0.85 0.85 ! 0.4808 173:10 Ambig 3.40, 4.64 A or (resid 69 and name HG2*) (resid 122 and name HN) ! 0.3174 173:10 ----- 3.64, 4.64 A or (resid 122 and name HG2*) (resid 122 and name HN) ! 0.1176 173:10 ----- 4.29, 4.60 A assign (resid 119 and name HG11) (resid 120 and name HN) 3.65 1.85 1.85 ! 0.6166 174:10 Ambig 4.86, 4.95 A or (resid 121 and name HG12) (resid 120 and name HN) ! 0.3624 174:10 ----- 5.31, 5.48 A assign (resid 69 and name HD1*) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.5944 175:10 Ambig 4.24, 5.38 A or (resid 119 and name HD1*) (resid 120 and name HN) ! 0.1410 175:10 ----- 5.39, 6.01 A or (resid 122 and name HD1*) (resid 120 and name HN) ! 0.1033 175:10 ----- 5.67, 6.82 A or (resid 112 and name HD2*) (resid 120 and name HN) ! 0.0845 175:10 ----- 5.87, 6.43 A assign (resid 122 and name HG12) (resid 123 and name HN) 3.65 1.85 1.85 ! 0.0000 176:10 Seq 5.06, 5.16 A assign (resid 122 and name HG2*) (resid 123 and name HN) 2.65 0.85 0.85 ! 0.8048 177:10 Ambig 2.65, 3.72 A or (resid 123 and name HD2*) (resid 123 and name HN) ! 0.1662 177:10 ----- 3.44, 4.38 A assign (resid 69 and name HG12) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.8243 178:10 Ambig 5.06, 5.18 A or (resid 18 and name HG1) (resid 70 and name HN) ! 0.0700 178:10 ----- 7.63, 8.42 A or (resid 91 and name HG11) (resid 70 and name HN) ! 0.0435 178:10 ----- 8.26, 8.52 A assign (resid 121 and name HG2*) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.5570 179:10 Ambig 4.68, 5.66 A or (resid 71 and name HG12) (resid 70 and name HN) ! 0.4242 179:10 ----- 4.89, 5.06 A assign (resid 69 and name HG2*) (resid 70 and name HN) 2.30 0.50 0.50 ! 0.8810 180:10 Ambig 2.69, 3.46 A or (resid 71 and name HD1*) (resid 70 and name HN) ! 0.0626 180:10 ----- 4.17, 5.36 A assign (resid 65 and name HB2) (resid 65 and name HN) 2.65 0.85 0.85 ! 0.7958 181:10 Ambig 2.24, 2.36 A or (resid 65 and name HG2) (resid 65 and name HN) ! 0.1748 181:10 ----- 2.89, 3.92 A assign (resid 64 and name HG2*) (resid 65 and name HN) 3.15 1.35 1.35 ! 0.5136 182:10 Ambig 4.15, 4.90 A or (resid 23 and name HG2*) (resid 65 and name HN) ! 0.3958 182:10 ----- 4.34, 5.66 A assign (resid 64 and name HG1*) (resid 65 and name HN) 2.65 0.85 0.85 ! 0.9672 183:10 Seq 2.80, 3.66 A assign (resid 31 and name HG*) (resid 31 and name HN) 2.30 0.50 0.50 ! 0.9759 184:10 Intra 2.34, 3.23 A assign (resid 22 and name HG1*) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.4803 185:10 Ambig 4.85, 6.08 A or (resid 22 and name HG2*) (resid 31 and name HN) ! 0.4403 185:10 ----- 4.93, 6.21 A assign (resid 32 and name HD2*) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.7450 186:10 Ambig 4.29, 5.32 A or (resid 32 and name HD1*) (resid 31 and name HN) ! 0.1660 186:10 ----- 5.51, 6.23 A assign (resid 119 and name HG2*) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.5831 187:10 Ambig 6.25, 6.80 A or (resid 108 and name HG1*) (resid 122 and name HN) ! 0.4169 187:10 ----- 6.61, 7.70 A assign (resid 119 and name HG2*) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.9950 188:10 Seq 2.70, 3.41 A assign (resid 119 and name HG2*) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.9282 189:10 Long 4.10, 4.96 A assign (resid 66 and name HG2*) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.9776 190:10 Seq 4.53, 5.64 A assign (resid 42 and name HN) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.5781 193:10 Ambig 4.17, 4.43 A or (resid 35 and name HN) (resid 36 and name HN) ! 0.4219 193:10 ----- 4.40, 4.44 A assign (resid 80 and name HN) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.0000 194:10 Seq 4.17, 4.28 A assign (resid 37 and name HN) (resid 19 and name HN) 3.65 1.85 1.85 ! 0.7388 195:10 Ambig 3.50, 3.70 A or (resid 36 and name HN) (resid 19 and name HN) ! 0.2584 195:10 ----- 4.17, 4.29 A assign (resid 39 and name HN) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.0000 196:10 Mid 3.82, 3.89 A assign (resid 94 and name HN) (resid 93 and name HN) 2.30 0.50 0.50 ! 0.9605 197:10 Seq 2.30, 2.39 A assign (resid 33 and name HN) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.0000 198:10 Long 4.27, 4.56 A assign (resid 32 and name HN) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.0000 199:10 Long 5.15, 5.26 A assign (resid 40 and name HN) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.9884 200:10 Mid 3.40, 3.55 A assign (resid 38 and name HN) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.6958 201:10 Ambig 4.47, 4.74 A or (resid 39 and name HD21) (resid 36 and name HN) ! 0.2788 201:10 ----- 5.20, 6.58 A assign (resid 26 and name HN) (resid 27 and name HN) 2.65 0.85 0.85 ! 0.9994 202:10 Seq 2.53, 2.68 A assign (resid 29 and name HN) (resid 27 and name HN) 3.15 1.35 1.35 ! 0.8125 203:10 Ambig 3.75, 3.89 A or (resid 30 and name HN) (resid 27 and name HN) ! 0.1875 203:10 ----- 4.78, 4.94 A assign (resid 20 and name HN) (resid 19 and name HN) 2.65 0.85 0.85 ! 0.9840 204:10 Seq 2.02, 2.17 A assign (resid 42 and name HD2) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.9506 205:10 Mid 4.06, 4.41 A assign (resid 35 and name HE) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.6100 206:10 Ambig 5.14, 5.49 A or (resid 20 and name HN) (resid 36 and name HN) ! 0.3662 206:10 ----- 5.60, 5.75 A assign (resid 41 and name HD*) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.0000 207:10 Long 4.28, 5.31 A assign (resid 70 and name HD*) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.6753 208:10 Ambig 3.83, 6.03 A or (resid 80 and name HD*) (resid 81 and name HN) ! 0.3247 208:10 ----- 4.32, 5.17 A assign (resid 33 and name HA) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.9789 209:10 Long 2.99, 3.23 A assign (resid 41 and name HA) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.0000 210:10 Long 2.97, 3.14 A assign (resid 80 and name HA) (resid 81 and name HN) 2.30 0.50 0.50 ! 0.8339 211:10 Ambig 2.00, 2.03 A or (resid 102 and name HA) (resid 81 and name HN) ! 0.1661 211:10 ----- 2.61, 2.80 A assign (resid 22 and name HA) (resid 27 and name HN) 4.15 2.35 2.35 ! 0.9408 212:10 Long 5.32, 5.50 A assign (resid 36 and name HA) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.9961 213:10 Long 2.23, 2.35 A assign (resid 19 and name HA) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.9079 214:10 Intra 2.88, 2.90 A assign (resid 18 and name HA) (resid 19 and name HN) 2.65 0.85 0.85 ! 0.9987 215:10 Seq 2.04, 2.08 A assign (resid 92 and name HA) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.8428 216:10 Ambig 3.38, 3.98 A or (resid 100 and name HA) (resid 99 and name HN) ! 0.1128 216:10 ----- 4.72, 5.00 A assign (resid 43 and name HA) (resid 44 and name HN) 2.30 0.50 0.50 ! 0.9984 217:10 Seq 2.00, 2.07 A assign (resid 3 and name HA) (resid 3 and name HN) 3.15 1.35 1.35 ! 0.0000 218:10 Intra 2.19, 2.71 A assign (resid 92 and name HB1) (resid 99 and name HN) 2.65 0.85 0.85 ! 0.6573 219:10 Ambig 2.56, 3.54 A or (resid 99 and name HA) (resid 99 and name HN) ! 0.3423 219:10 ----- 2.86, 2.91 A assign (resid 2 and name HA) (resid 3 and name HN) 2.65 0.85 0.85 ! 0.9334 220:10 Seq 2.05, 2.75 A assign (resid 98 and name HA) (resid 99 and name HN) 2.30 0.50 0.50 ! 0.0000 221:10 Seq 2.05, 2.16 A assign (resid 39 and name HA) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.8228 222:10 Ambig 3.44, 3.69 A or (resid 18 and name HA) (resid 36 and name HN) ! 0.1772 222:10 ----- 4.44, 4.59 A assign (resid 81 and name HA) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.9912 223:10 Intra 2.81, 2.84 A assign (resid 27 and name HA) (resid 27 and name HN) 2.30 0.50 0.50 ! 0.7822 225:10 Ambig 2.78, 2.81 A or (resid 26 and name HA) (resid 27 and name HN) ! 0.2171 225:10 ----- 3.45, 3.51 A assign (resid 92 and name HB1) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.9953 227:10 Seq 2.65, 3.64 A assign (resid 92 and name HB2) (resid 93 and name HN) 2.65 0.85 0.85 ! 0.8184 228:10 Ambig 2.67, 3.40 A or (resid 90 and name HA) (resid 93 and name HN) ! 0.1754 228:10 ----- 3.45, 3.56 A assign (resid 18 and name HD1) (resid 19 and name HN) 4.15 2.35 2.35 ! 0.6798 229:10 Ambig 5.38, 5.63 A or (resid 35 and name HD1) (resid 19 and name HN) ! 0.2678 229:10 ----- 6.29, 6.64 A assign (resid 44 and name HA) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.0000 230:10 Intra 2.83, 2.90 A assign (resid 35 and name HA) (resid 36 and name HN) 2.30 0.50 0.50 ! 0.0000 231:10 Seq 2.06, 2.14 A assign (resid 40 and name HB2) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.5205 232:10 Ambig 4.31, 4.46 A or (resid 35 and name HD1) (resid 36 and name HN) ! 0.3053 232:10 ----- 4.71, 4.93 A or (resid 42 and name HB*) (resid 36 and name HN) ! 0.1438 232:10 ----- 5.34, 5.65 A assign (resid 80 and name HB1) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.9956 233:10 Seq 3.20, 3.39 A assign (resid 25 and name HA) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.7573 234:10 Ambig 4.30, 4.56 A or (resid 28 and name HA) (resid 27 and name HN) ! 0.2260 234:10 ----- 5.26, 5.35 A assign (resid 24 and name HA) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.0000 235:10 Mid 3.33, 3.50 A assign (resid 93 and name HA) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.0000 236:10 Intra 2.87, 2.89 A assign (resid 91 and name HA) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.8983 237:10 Ambig 4.01, 4.15 A or (resid 57 and name HD2) (resid 93 and name HN) ! 0.1017 237:10 ----- 5.77, 6.04 A assign (resid 37 and name HB2) (resid 19 and name HN) 4.15 2.35 2.35 ! 0.8591 238:10 Ambig 3.91, 5.25 A or (resid 18 and name HD2) (resid 19 and name HN) ! 0.1362 238:10 ----- 5.31, 5.38 A assign (resid 3 and name HB1) (resid 3 and name HN) 2.65 0.85 0.85 ! 0.5499 240:10 Ambig 2.32, 3.43 A or (resid 3 and name HB2) (resid 3 and name HN) ! 0.4501 240:10 ----- 2.40, 3.07 A assign (resid 41 and name HB2) (resid 36 and name HN) 4.15 2.35 2.35 ! 0.8602 241:10 Ambig 5.68, 5.88 A or (resid 33 and name HE*) (resid 36 and name HN) ! 0.1398 241:10 ----- 7.69, 9.63 A assign (resid 26 and name HB1) (resid 27 and name HN) 2.65 0.85 0.85 ! 0.9062 242:10 Seq 2.99, 3.31 A assign (resid 26 and name HB2) (resid 27 and name HN) 2.65 0.85 0.85 ! 0.9996 243:10 Seq 2.43, 2.57 A assign (resid 20 and name HG1) (resid 19 and name HN) 3.65 1.85 1.85 ! 0.0000 245:10 Seq 4.44, 4.77 A assign (resid 20 and name HG2) (resid 19 and name HN) 3.65 1.85 1.85 ! 0.6847 246:10 Ambig 3.46, 3.74 A or (resid 34 and name HB) (resid 19 and name HN) ! 0.2150 246:10 ----- 4.20, 4.49 A or (resid 20 and name HB*) (resid 19 and name HN) ! 0.0984 246:10 ----- 4.78, 5.45 A assign (resid 18 and name HB1) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.9950 247:10 Seq 3.33, 3.51 A assign (resid 45 and name HB1) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.9051 248:10 Intra 3.40, 3.51 A assign (resid 32 and name HB1) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.8213 249:10 Ambig 2.41, 2.67 A or (resid 43 and name HG1) (resid 44 and name HN) ! 0.1779 249:10 ----- 3.11, 4.72 A assign (resid 98 and name HG1) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.5321 250:10 Ambig 4.05, 4.94 A or (resid 98 and name HG2) (resid 99 and name HN) ! 0.4562 250:10 ----- 4.16, 4.94 A assign (resid 43 and name HG2) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.9955 251:10 Seq 2.33, 3.89 A assign (resid 99 and name HB) (resid 99 and name HN) 2.30 0.50 0.50 ! 0.6024 252:10 Ambig 2.33, 2.56 A or (resid 98 and name HB2) (resid 99 and name HN) ! 0.2563 252:10 ----- 2.69, 3.84 A or (resid 98 and name HB1) (resid 99 and name HN) ! 0.1138 252:10 ----- 3.08, 3.71 A assign (resid 2 and name HB) (resid 3 and name HN) 3.15 1.35 1.35 ! 0.9942 253:10 Seq 1.96, 3.53 A assign (resid 44 and name HB) (resid 44 and name HN) 2.30 0.50 0.50 ! 0.9575 254:10 Intra 2.24, 2.33 A assign (resid 36 and name HB1) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.9957 255:10 Intra 3.58, 3.62 A assign (resid 20 and name HG2) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.5490 256:10 Ambig 5.20, 5.40 A or (resid 34 and name HB) (resid 36 and name HN) ! 0.3510 256:10 ----- 5.61, 5.69 A or (resid 20 and name HB*) (resid 36 and name HN) ! 0.0827 256:10 ----- 7.13, 7.94 A assign (resid 36 and name HG) (resid 36 and name HN) 2.30 0.50 0.50 ! 0.9996 257:10 Intra 2.24, 2.40 A assign (resid 81 and name HB) (resid 81 and name HN) 2.65 0.85 0.85 ! 0.9707 258:10 Intra 2.40, 2.52 A assign (resid 22 and name HB) (resid 27 and name HN) 3.15 1.35 1.35 ! 0.9936 259:10 Long 3.40, 3.48 A assign (resid 25 and name HB1) (resid 27 and name HN) 3.15 1.35 1.35 ! 0.4288 260:10 Ambig 4.78, 5.22 A or (resid 31 and name HB1) (resid 27 and name HN) ! 0.3634 260:10 ----- 4.91, 5.26 A or (resid 28 and name HB1) (resid 27 and name HN) ! 0.0947 260:10 ----- 6.14, 6.27 A or (resid 25 and name HD*) (resid 27 and name HN) ! 0.0547 260:10 ----- 6.73, 7.76 A assign (resid 93 and name HG11) (resid 93 and name HN) 2.30 0.50 0.50 ! 0.5475 261:10 Ambig 2.30, 2.41 A or (resid 93 and name HB) (resid 93 and name HN) ! 0.4420 261:10 ----- 2.39, 2.44 A assign (resid 89 and name HG1) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.4682 262:10 Ambig 4.97, 5.23 A or (resid 90 and name HB*) (resid 93 and name HN) ! 0.3434 262:10 ----- 5.23, 5.49 A or (resid 97 and name HB*) (resid 93 and name HN) ! 0.1189 262:10 ----- 6.24, 7.61 A assign (resid 18 and name HB2) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.8730 263:10 Ambig 3.37, 3.75 A or (resid 36 and name HB2) (resid 19 and name HN) ! 0.0742 263:10 ----- 5.08, 5.20 A assign (resid 19 and name HB*) (resid 19 and name HN) 2.65 0.85 0.85 ! 0.9976 264:10 Intra 2.37, 2.89 A assign (resid 34 and name HD1*) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.8044 265:10 Ambig 3.78, 4.95 A or (resid 18 and name HG2) (resid 19 and name HN) ! 0.1458 265:10 ----- 5.03, 5.55 A assign (resid 32 and name HB2) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.5745 266:10 Ambig 3.70, 3.93 A or (resid 33 and name HD*) (resid 44 and name HN) ! 0.3710 266:10 ----- 3.98, 6.98 A assign (resid 99 and name HG1*) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.9204 267:10 Intra 3.93, 4.26 A assign (resid 44 and name HG1*) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.9934 268:10 Intra 2.31, 3.16 A assign (resid 99 and name HD1*) (resid 99 and name HN) 2.30 0.50 0.50 ! 0.9446 269:10 Intra 2.46, 3.45 A assign (resid 44 and name HD1*) (resid 44 and name HN) 2.65 0.85 0.85 ! 0.3843 270:10 Ambig 3.75, 4.60 A or (resid 32 and name HD2*) (resid 44 and name HN) ! 0.2645 270:10 ----- 3.99, 4.93 A or (resid 44 and name HG2*) (resid 44 and name HN) ! 0.2117 270:10 ----- 4.14, 4.45 A or (resid 32 and name HD1*) (resid 44 and name HN) ! 0.1107 270:10 ----- 4.61, 5.61 A assign (resid 35 and name HB*) (resid 36 and name HN) 2.65 0.85 0.85 ! 0.9964 271:10 Seq 3.63, 3.97 A assign (resid 36 and name HB2) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.9932 272:10 Intra 2.42, 2.49 A assign (resid 36 and name HD1*) (resid 36 and name HN) 2.65 0.85 0.85 ! 0.6626 273:10 Ambig 3.97, 4.56 A or (resid 19 and name HB*) (resid 36 and name HN) ! 0.3328 273:10 ----- 4.45, 5.18 A assign (resid 35 and name HG*) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.0000 274:10 Seq 2.22, 2.88 A assign (resid 81 and name HG1*) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.9075 275:10 Intra 4.35, 4.50 A assign (resid 81 and name HG2*) (resid 81 and name HN) 2.65 0.85 0.85 ! 0.9524 276:10 Intra 2.03, 2.97 A assign (resid 27 and name HB*) (resid 27 and name HN) 2.30 0.50 0.50 ! 0.9700 277:10 Intra 2.41, 2.88 A assign (resid 22 and name HG2*) (resid 27 and name HN) 2.65 0.85 0.85 ! 0.7658 278:10 Ambig 3.35, 4.17 A or (resid 66 and name HG12) (resid 27 and name HN) ! 0.0993 278:10 ----- 4.71, 4.83 A or (resid 49 and name HG2*) (resid 27 and name HN) ! 0.0653 278:10 ----- 5.05, 6.12 A assign (resid 94 and name HG) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.5807 279:10 Ambig 3.86, 4.04 A or (resid 94 and name HB2) (resid 93 and name HN) ! 0.2479 279:10 ----- 4.45, 4.57 A or (resid 56 and name HG11) (resid 93 and name HN) ! 0.0800 279:10 ----- 5.38, 5.65 A assign (resid 93 and name HG12) (resid 93 and name HN) 2.65 0.85 0.85 ! 0.7407 280:10 Ambig 3.61, 3.67 A or (resid 93 and name HG2*) (resid 93 and name HN) ! 0.2498 280:10 ----- 4.32, 4.55 A assign (resid 93 and name HD1*) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.9400 281:10 Intra 3.86, 4.54 A assign (resid 36 and name HD2*) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.0000 282:10 Long 3.61, 4.68 A assign (resid 36 and name HD2*) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.0000 283:10 Intra 3.47, 4.26 A assign (resid 24 and name HG2*) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.4857 284:10 Ambig 5.39, 5.99 A or (resid 28 and name HD1*) (resid 27 and name HN) ! 0.4050 284:10 ----- 5.55, 6.52 A or (resid 66 and name HG2*) (resid 27 and name HN) ! 0.1093 284:10 ----- 6.91, 7.48 A assign (resid 94 and name HD1*) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.5911 285:10 Ambig 5.31, 6.11 A or (resid 60 and name HD1*) (resid 93 and name HN) ! 0.3573 285:10 ----- 5.77, 6.15 A assign (resid 91 and name HD1*) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.0000 286:10 Mid 5.97, 6.85 A assign (resid 103 and name HD1*) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.0000 287:10 Long 5.56, 6.32 A assign (resid 61 and name HE1) (resid 61 and name HN) 3.65 1.85 1.85 ! 0.0000 288:10 Intra 4.58, 4.67 A assign (resid 61 and name HE1) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 289:10 Mid 3.84, 4.07 A assign (resid 72 and name HN) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.5576 290:10 Ambig 4.29, 4.38 A or (resid 122 and name HN) (resid 71 and name HN) ! 0.3643 290:10 ----- 4.60, 4.71 A assign (resid 80 and name HN) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.0000 291:10 Long 3.81, 4.15 A assign (resid 72 and name HN) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.4796 292:10 Ambig 4.40, 4.52 A or (resid 79 and name HN) (resid 73 and name HN) ! 0.4608 292:10 ----- 4.43, 4.80 A assign (resid 70 and name HN) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.0000 293:10 Seq 4.12, 4.19 A assign (resid 82 and name HN) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.9871 294:10 Long 3.96, 4.18 A assign (resid 31 and name HN) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.9706 295:10 Seq 3.82, 4.00 A assign (resid 76 and name HN) (resid 75 and name HN) 2.65 0.85 0.85 ! 0.8905 296:10 Ambig 1.81, 2.07 A or (resid 62 and name HN) (resid 61 and name HN) ! 0.1079 296:10 ----- 2.58, 2.64 A assign (resid 64 and name HN) (resid 61 and name HN) 3.65 1.85 1.85 ! 0.6979 297:10 Ambig 4.69, 4.81 A or (resid 24 and name HN) (resid 61 and name HN) ! 0.1614 297:10 ----- 5.99, 6.14 A or (resid 61 and name HZ2) (resid 61 and name HN) ! 0.0866 297:10 ----- 6.64, 6.78 A assign (resid 60 and name HN) (resid 61 and name HN) 2.30 0.50 0.50 ! 0.9980 298:10 Seq 2.44, 2.51 A assign (resid 78 and name HN) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.5410 299:10 Ambig 3.35, 3.53 A or (resid 80 and name HD*) (resid 73 and name HN) ! 0.4590 299:10 ----- 3.44, 5.69 A assign (resid 33 and name HN) (resid 32 and name HN) 2.65 0.85 0.85 ! 0.0000 300:10 Seq 1.88, 2.32 A assign (resid 70 and name HD*) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.5042 301:10 Ambig 3.93, 5.06 A or (resid 80 and name HD*) (resid 71 and name HN) ! 0.4615 301:10 ----- 3.99, 5.26 A assign (resid 79 and name HD*) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.9836 302:10 Long 3.98, 5.83 A assign (resid 61 and name HE3) (resid 61 and name HN) 3.65 1.85 1.85 ! 0.6819 303:10 Ambig 5.16, 5.36 A or (resid 59 and name HD*) (resid 61 and name HN) ! 0.3181 303:10 ----- 5.86, 6.35 A assign (resid 61 and name HD1) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.0000 304:10 Intra 2.28, 2.44 A assign (resid 48 and name HN) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.9284 305:10 Mid 3.87, 3.98 A assign (resid 129 and name HD*) (resid 129 and name HN) 3.65 1.85 1.85 ! 0.0000 306:10 Intra 1.77, 3.93 A assign (resid 79 and name HD*) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.0000 307:10 Long 4.67, 5.02 A assign (resid 70 and name HD*) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.5630 308:10 Ambig 3.45, 4.82 A or (resid 120 and name HD*) (resid 121 and name HN) ! 0.3646 308:10 ----- 3.71, 5.03 A assign (resid 59 and name HD*) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 309:10 Seq 4.44, 5.31 A assign (resid 70 and name HA) (resid 71 and name HN) 2.65 0.85 0.85 ! 0.0000 310:10 Seq 2.05, 2.09 A assign (resid 70 and name HA) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.9971 311:10 Long 2.78, 2.98 A assign (resid 80 and name HA) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.9060 312:10 Long 4.37, 4.55 A assign (resid 71 and name HA) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.8786 313:10 Ambig 2.91, 2.93 A or (resid 79 and name HA) (resid 71 and name HN) ! 0.1040 313:10 ----- 4.16, 4.45 A assign (resid 79 and name HA) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.9793 314:10 Long 2.44, 2.90 A assign (resid 81 and name HA) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.9903 316:10 Long 3.99, 4.18 A assign (resid 75 and name HA) (resid 75 and name HN) 2.30 0.50 0.50 ! 0.7414 319:10 Ambig 2.85, 2.92 A or (resid 74 and name HA) (resid 75 and name HN) ! 0.2586 319:10 ----- 3.40, 3.53 A assign (resid 74 and name HB2) (resid 75 and name HN) 2.65 0.85 0.85 ! 0.8478 320:10 Ambig 2.39, 2.92 A or (resid 60 and name HA) (resid 61 and name HN) ! 0.1190 320:10 ----- 3.31, 3.34 A assign (resid 128 and name HA) (resid 129 and name HN) 2.30 0.50 0.50 ! 0.7048 321:10 Ambig 1.91, 2.55 A or (resid 129 and name HA) (resid 129 and name HN) ! 0.2937 321:10 ----- 2.21, 2.78 A assign (resid 126 and name HA) (resid 127 and name HN) 2.30 0.50 0.50 ! 0.8652 322:10 Ambig 2.07, 2.61 A or (resid 127 and name HA) (resid 127 and name HN) ! 0.1348 322:10 ----- 2.82, 2.88 A assign (resid 130 and name HB) (resid 131 and name HN) 2.30 0.50 0.50 ! 0.3206 323:10 Ambig 2.31, 3.37 A or (resid 133 and name HB) (resid 134 and name HN) ! 0.2961 323:10 ----- 2.34, 2.63 A or (resid 134 and name HA) (resid 134 and name HN) ! 0.1221 323:10 ----- 2.71, 2.78 A or (resid 131 and name HA) (resid 131 and name HN) ! 0.1025 323:10 ----- 2.79, 2.82 A or (resid 131 and name HA) (resid 134 and name HN) ! 0.0859 323:10 ----- 2.87, 3.46 A assign (resid 3 and name HA) (resid 4 and name HN) 2.65 0.85 0.85 ! 0.0000 324:10 Seq 1.96, 2.76 A assign (resid 81 and name HA) (resid 82 and name HN) 2.30 0.50 0.50 ! 0.9937 326:10 Seq 2.06, 2.11 A assign (resid 57 and name HA) (resid 58 and name HN) 2.30 0.50 0.50 ! 0.0000 327:10 Seq 2.09, 2.13 A assign (resid 31 and name HA) (resid 32 and name HN) 2.30 0.50 0.50 ! 0.8932 328:10 Ambig 2.03, 2.17 A or (resid 32 and name HA) (resid 32 and name HN) ! 0.1005 328:10 ----- 2.92, 2.94 A assign (resid 82 and name HB2) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.6371 329:10 Ambig 3.71, 4.11 A or (resid 82 and name HB1) (resid 71 and name HN) ! 0.1977 329:10 ----- 4.51, 5.06 A or (resid 72 and name HA) (resid 71 and name HN) ! 0.1411 329:10 ----- 4.77, 4.91 A assign (resid 61 and name HB1) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.0000 330:10 Intra 3.62, 3.63 A assign (resid 128 and name HB1) (resid 129 and name HN) 3.15 1.35 1.35 ! 0.5510 331:10 Ambig 2.48, 3.70 A or (resid 128 and name HB2) (resid 129 and name HN) ! 0.4490 331:10 ----- 2.56, 3.85 A assign (resid 72 and name HA) (resid 73 and name HN) 2.65 0.85 0.85 ! 0.9846 332:10 Seq 2.10, 2.17 A assign (resid 73 and name HB*) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.0000 333:10 Intra 2.35, 2.49 A assign (resid 82 and name HB2) (resid 82 and name HN) 2.30 0.50 0.50 ! 0.6278 334:10 Ambig 2.34, 2.51 A or (resid 82 and name HB1) (resid 82 and name HN) ! 0.3633 334:10 ----- 2.56, 3.38 A assign (resid 61 and name HB2) (resid 58 and name HN) 4.15 2.35 2.35 ! 0.4086 335:10 Ambig 6.28, 6.43 A or (resid 59 and name HB1) (resid 58 and name HN) ! 0.4034 335:10 ----- 6.29, 6.39 A or (resid 53 and name HB1) (resid 58 and name HN) ! 0.1880 335:10 ----- 7.14, 8.39 A assign (resid 30 and name HA2) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.0000 336:10 Mid 4.06, 4.48 A assign (resid 70 and name HB1) (resid 71 and name HN) 2.65 0.85 0.85 ! 0.8131 337:10 Ambig 3.23, 3.33 A or (resid 70 and name HB2) (resid 71 and name HN) ! 0.1854 337:10 ----- 4.14, 4.20 A assign (resid 79 and name HB1) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.9101 338:10 Long 3.53, 3.83 A assign (resid 61 and name HB2) (resid 61 and name HN) 2.65 0.85 0.85 ! 0.9533 340:10 Intra 2.42, 2.51 A assign (resid 129 and name HB*) (resid 129 and name HN) 2.65 0.85 0.85 ! 0.0000 341:10 Intra 2.21, 3.31 A assign (resid 131 and name HG2) (resid 131 and name HN) 2.30 0.50 0.50 ! 0.9371 343:10 Intra 1.82, 2.18 A assign (resid 3 and name HB2) (resid 4 and name HN) 3.15 1.35 1.35 ! 0.6804 344:10 Ambig 1.80, 3.43 A or (resid 3 and name HB1) (resid 4 and name HN) ! 0.3196 344:10 ----- 2.04, 3.57 A assign (resid 59 and name HB2) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 345:10 Seq 5.38, 5.46 A assign (resid 57 and name HB1) (resid 58 and name HN) 2.65 0.85 0.85 ! 0.0000 346:10 Seq 3.34, 3.42 A assign (resid 31 and name HE*) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.7529 347:10 Ambig 4.66, 6.21 A or (resid 26 and name HB1) (resid 32 and name HN) ! 0.1490 347:10 ----- 6.11, 6.37 A assign (resid 33 and name HE*) (resid 32 and name HN) 4.15 2.35 2.35 ! 0.9005 348:10 Seq 5.00, 6.22 A assign (resid 71 and name HB) (resid 71 and name HN) 2.65 0.85 0.85 ! 0.9467 349:10 Intra 2.58, 2.64 A assign (resid 71 and name HG11) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.9726 350:10 Intra 3.63, 3.76 A assign (resid 75 and name HG*) (resid 75 and name HN) 2.65 0.85 0.85 ! 0.0000 352:10 Intra 2.00, 3.40 A assign (resid 75 and name HB1) (resid 75 and name HN) 3.15 1.35 1.35 ! 0.9727 353:10 Intra 3.55, 3.74 A assign (resid 75 and name HB2) (resid 75 and name HN) 2.30 0.50 0.50 ! 0.8824 354:10 Ambig 2.41, 2.65 A or (resid 76 and name HB) (resid 75 and name HN) ! 0.0484 354:10 ----- 3.91, 4.39 A assign (resid 127 and name HB2) (resid 127 and name HN) 2.65 0.85 0.85 ! 0.9863 355:10 Intra 2.17, 2.82 A assign (resid 127 and name HG*) (resid 127 and name HN) 3.15 1.35 1.35 ! 0.9968 356:10 Intra 2.18, 4.03 A assign (resid 134 and name HB1) (resid 134 and name HN) 2.30 0.50 0.50 ! 0.9751 357:10 Intra 2.38, 2.60 A assign (resid 4 and name HB*) (resid 4 and name HN) 2.65 0.85 0.85 ! 0.0000 358:10 Intra 2.36, 3.16 A assign (resid 58 and name HA) (resid 58 and name HN) 2.30 0.50 0.50 ! 0.9987 359:10 Intra 2.72, 2.75 A assign (resid 57 and name HB2) (resid 58 and name HN) 3.15 1.35 1.35 ! 0.9555 360:10 Seq 3.19, 3.26 A assign (resid 32 and name HB1) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.9626 361:10 Intra 3.62, 3.69 A assign (resid 31 and name HB1) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.9075 362:10 Seq 3.69, 3.95 A assign (resid 31 and name HD*) (resid 32 and name HN) 2.65 0.85 0.85 ! 0.4607 363:10 Ambig 3.74, 4.99 A or (resid 33 and name HB*) (resid 32 and name HN) ! 0.4236 363:10 ----- 3.79, 4.17 A or (resid 44 and name HB) (resid 32 and name HN) ! 0.1042 363:10 ----- 4.79, 4.98 A assign (resid 71 and name HD1*) (resid 71 and name HN) 2.65 0.85 0.85 ! 0.5369 364:10 Ambig 3.36, 4.17 A or (resid 69 and name HG2*) (resid 71 and name HN) ! 0.3231 364:10 ----- 3.66, 4.78 A or (resid 71 and name HG2*) (resid 71 and name HN) ! 0.1038 364:10 ----- 4.42, 4.61 A assign (resid 56 and name HG2*) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.7117 366:10 Ambig 4.86, 5.79 A or (resid 58 and name HB2) (resid 61 and name HN) ! 0.2719 366:10 ----- 5.70, 5.93 A assign (resid 60 and name HG) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.3788 367:10 Ambig 4.58, 4.65 A or (resid 63 and name HB2) (resid 61 and name HN) ! 0.3128 367:10 ----- 4.73, 4.86 A or (resid 56 and name HD1*) (resid 61 and name HN) ! 0.2516 367:10 ----- 4.91, 5.73 A assign (resid 126 and name HG2*) (resid 127 and name HN) 3.15 1.35 1.35 ! 0.0000 368:10 Seq 3.23, 4.80 A assign (resid 130 and name HG2*) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.8932 369:10 Ambig 2.34, 4.14 A or (resid 133 and name HG2*) (resid 134 and name HN) ! 0.0647 369:10 ----- 3.63, 4.49 A assign (resid 4 and name HG*) (resid 4 and name HN) 3.15 1.35 1.35 ! 0.0000 370:10 Intra 1.82, 3.98 A assign (resid 81 and name HG1*) (resid 82 and name HN) 2.65 0.85 0.85 ! 0.7332 371:10 Ambig 3.16, 3.77 A or (resid 69 and name HG2*) (resid 82 and name HN) ! 0.1824 371:10 ----- 3.99, 5.07 A assign (resid 58 and name HB2) (resid 58 and name HN) 2.30 0.50 0.50 ! 0.9966 372:10 Intra 2.12, 2.26 A assign (resid 58 and name HG) (resid 58 and name HN) 3.15 1.35 1.35 ! 0.7660 373:10 Ambig 4.36, 4.46 A or (resid 60 and name HG) (resid 58 and name HN) ! 0.1923 373:10 ----- 5.49, 5.56 A assign (resid 32 and name HB2) (resid 32 and name HN) 2.30 0.50 0.50 ! 0.9677 374:10 Intra 2.42, 2.52 A assign (resid 32 and name HG) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.9902 375:10 Intra 2.68, 2.89 A assign (resid 32 and name HD2*) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.4472 376:10 Ambig 3.99, 4.73 A or (resid 32 and name HD1*) (resid 32 and name HN) ! 0.4147 376:10 ----- 4.04, 4.81 A or (resid 44 and name HD1*) (resid 32 and name HN) ! 0.1074 376:10 ----- 5.06, 6.53 A assign (resid 108 and name HG1*) (resid 71 and name HN) 4.15 2.35 2.35 ! 0.5925 377:10 Ambig 7.20, 8.16 A or (resid 119 and name HG2*) (resid 71 and name HN) ! 0.4075 377:10 ----- 7.66, 8.33 A assign (resid 108 and name HG2*) (resid 71 and name HN) 4.15 2.35 2.35 ! 0.0000 378:10 Long 6.51, 7.39 A assign (resid 24 and name HD1*) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.8797 379:10 Ambig 4.17, 5.32 A or (resid 60 and name HD1*) (resid 61 and name HN) ! 0.1203 379:10 ----- 5.82, 6.34 A assign (resid 58 and name HD1*) (resid 61 and name HN) 3.65 1.85 1.85 ! 0.0000 380:10 Mid 4.27, 5.43 A assign (resid 58 and name HD2*) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.6687 381:10 Ambig 4.55, 5.92 A or (resid 24 and name HG2*) (resid 61 and name HN) ! 0.2722 381:10 ----- 5.28, 6.35 A assign (resid 91 and name HD1*) (resid 82 and name HN) 4.15 2.35 2.35 ! 0.0000 382:10 Long 6.41, 7.46 A assign (resid 58 and name HD1*) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 383:10 Intra 4.67, 5.27 A assign (resid 58 and name HD2*) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.9894 384:10 Intra 4.22, 4.92 A assign (resid 63 and name HD1*) (resid 61 and name HN) 3.65 1.85 1.85 ! 0.0000 385:10 Mid 5.03, 6.06 A assign (resid 61 and name HE1) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 386:10 Long 4.86, 5.13 A assign (resid 79 and name HN) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.5235 387:10 Ambig 4.16, 4.27 A or (resid 72 and name HN) (resid 80 and name HN) ! 0.2629 387:10 ----- 4.67, 4.77 A or (resid 103 and name HN) (resid 80 and name HN) ! 0.1808 387:10 ----- 4.97, 5.11 A assign (resid 34 and name HN) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.0000 388:10 Long 2.98, 3.13 A assign (resid 104 and name HN) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.0000 389:10 Seq 4.40, 4.49 A assign (resid 104 and name HN) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 390:10 Mid 3.45, 3.66 A assign (resid 73 and name HN) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.9734 391:10 Long 3.81, 4.15 A assign (resid 81 and name HN) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.9323 392:10 Seq 4.17, 4.28 A assign (resid 36 and name HN) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.8533 393:10 Ambig 4.17, 4.43 A or (resid 44 and name HN) (resid 42 and name HN) ! 0.1261 393:10 ----- 5.74, 6.27 A assign (resid 105 and name HN) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.0000 394:10 Seq 4.40, 4.49 A assign (resid 106 and name HN) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.8885 395:10 Ambig 4.88, 5.07 A or (resid 109 and name HN) (resid 104 and name HN) ! 0.1115 395:10 ----- 6.89, 7.02 A assign (resid 53 and name HN) (resid 52 and name HN) 2.65 0.85 0.85 ! 0.0000 396:10 Seq 2.62, 2.75 A assign (resid 106 and name HN) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.0000 397:10 Seq 2.58, 2.69 A assign (resid 133 and name HN) (resid 132 and name HN) 2.30 0.50 0.50 ! 0.9769 398:10 Seq 2.40, 2.61 A assign (resid 50 and name HN) (resid 51 and name HN) 2.65 0.85 0.85 ! 0.0000 399:10 Seq 2.64, 2.74 A assign (resid 52 and name HN) (resid 51 and name HN) 2.65 0.85 0.85 ! 0.9995 400:10 Seq 2.37, 2.52 A assign (resid 65 and name HN) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.6593 401:10 Ambig 4.16, 4.36 A or (resid 61 and name HN) (resid 64 and name HN) ! 0.3223 401:10 ----- 4.69, 4.81 A assign (resid 61 and name HN) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.9252 402:10 Mid 3.71, 3.86 A assign (resid 105 and name HN) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.0000 403:10 Mid 3.88, 4.11 A assign (resid 106 and name HN) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.0000 404:10 Seq 2.63, 2.70 A assign (resid 80 and name HE*) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.8705 405:10 Ambig 4.31, 5.34 A or (resid 80 and name HZ) (resid 80 and name HN) ! 0.1295 405:10 ----- 5.92, 6.06 A assign (resid 108 and name HN) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.0000 406:10 Mid 4.45, 4.59 A assign (resid 68 and name HD*) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.0000 408:10 Intra 2.65, 3.63 A assign (resid 78 and name HN) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.0000 409:10 Seq 4.27, 4.36 A assign (resid 51 and name HN) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.0000 410:10 Seq 2.64, 2.74 A assign (resid 49 and name HN) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.9998 411:10 Seq 2.30, 2.42 A assign (resid 51 and name HN) (resid 52 and name HN) 2.65 0.85 0.85 ! 0.0000 412:10 Seq 2.37, 2.52 A assign (resid 68 and name HD*) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.0000 413:10 Seq 4.01, 5.05 A assign (resid 105 and name HD21) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.6304 414:10 Ambig 4.29, 4.55 A or (resid 108 and name HN) (resid 105 and name HN) ! 0.3696 414:10 ----- 4.69, 4.82 A assign (resid 88 and name HN) (resid 89 and name HN) 2.65 0.85 0.85 ! 0.9953 415:10 Seq 2.46, 2.54 A assign (resid 29 and name HN) (resid 28 and name HN) 2.65 0.85 0.85 ! 0.9367 416:10 Seq 2.42, 2.48 A assign (resid 56 and name HN) (resid 55 and name HN) 2.30 0.50 0.50 ! 0.7980 417:10 Ambig 1.89, 2.02 A or (resid 54 and name HN) (resid 55 and name HN) ! 0.2020 417:10 ----- 2.38, 2.55 A assign (resid 62 and name HN) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.9657 418:10 Mid 4.10, 4.25 A assign (resid 63 and name HN) (resid 64 and name HN) 2.30 0.50 0.50 ! 0.9999 419:10 Seq 1.94, 2.06 A assign (resid 62 and name HN) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9984 420:10 Seq 2.27, 2.42 A assign (resid 64 and name HN) (resid 63 and name HN) 2.30 0.50 0.50 ! 0.9908 421:10 Seq 1.94, 2.06 A assign (resid 108 and name HN) (resid 107 and name HN) 2.30 0.50 0.50 ! 0.0000 422:10 Seq 2.34, 2.48 A assign (resid 80 and name HD*) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.9909 423:10 Intra 2.12, 3.58 A assign (resid 79 and name HD*) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.9893 424:10 Seq 4.17, 4.92 A assign (resid 107 and name HN) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.0000 425:10 Mid 3.45, 3.66 A assign (resid 41 and name HD*) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.0000 426:10 Seq 3.48, 4.76 A assign (resid 79 and name HD*) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.9685 427:10 Long 5.09, 7.21 A assign (resid 42 and name HD2) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.6657 428:10 Ambig 4.67, 4.86 A or (resid 41 and name HE*) (resid 42 and name HN) ! 0.1815 428:10 ----- 5.80, 6.79 A or (resid 120 and name HE*) (resid 42 and name HN) ! 0.1528 428:10 ----- 5.97, 6.64 A assign (resid 120 and name HD*) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.5194 429:10 Ambig 4.18, 6.35 A or (resid 68 and name HE*) (resid 68 and name HN) ! 0.2854 429:10 ----- 4.61, 5.29 A or (resid 70 and name HE*) (resid 68 and name HN) ! 0.1953 429:10 ----- 4.92, 6.54 A assign (resid 120 and name HE*) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.4010 430:10 Ambig 5.58, 7.60 A or (resid 68 and name HZ) (resid 68 and name HN) ! 0.2907 430:10 ----- 5.89, 5.97 A or (resid 21 and name HE*) (resid 68 and name HN) ! 0.2840 430:10 ----- 5.92, 8.33 A assign (resid 79 and name HD*) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.9993 431:10 Intra 2.65, 4.08 A assign (resid 86 and name HN) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.0000 432:10 Seq 2.34, 2.60 A assign (resid 115 and name HD*) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.7834 433:10 Ambig 4.03, 5.86 A or (resid 55 and name HE) (resid 52 and name HN) ! 0.1334 433:10 ----- 5.41, 6.96 A assign (resid 115 and name HE*) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.9983 434:10 Long 2.65, 4.87 A assign (resid 70 and name HE*) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.6103 435:10 Ambig 5.20, 5.81 A or (resid 120 and name HD*) (resid 69 and name HN) ! 0.2215 435:10 ----- 6.15, 7.51 A or (resid 68 and name HE*) (resid 69 and name HN) ! 0.1682 435:10 ----- 6.44, 7.20 A assign (resid 107 and name HN) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.0000 436:10 Mid 3.88, 4.11 A assign (resid 79 and name HE*) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.0000 437:10 Long 3.49, 5.90 A assign (resid 48 and name HN) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.4868 438:10 Ambig 4.79, 4.92 A or (resid 115 and name HD*) (resid 51 and name HN) ! 0.3921 438:10 ----- 4.96, 7.33 A or (resid 55 and name HE) (resid 51 and name HN) ! 0.1109 438:10 ----- 6.13, 8.08 A assign (resid 115 and name HE*) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.0000 439:10 Long 4.31, 6.72 A assign (resid 70 and name HA) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 440:10 Long 4.20, 4.36 A assign (resid 80 and name HA) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.9361 441:10 Intra 2.88, 2.89 A assign (resid 79 and name HA) (resid 80 and name HN) 2.30 0.50 0.50 ! 0.9890 442:10 Seq 2.03, 2.08 A assign (resid 104 and name HA) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.9907 445:10 Intra 2.87, 2.90 A assign (resid 41 and name HA) (resid 42 and name HN) 2.30 0.50 0.50 ! 0.0000 446:10 Seq 2.03, 2.13 A assign (resid 42 and name HA) (resid 42 and name HN) 2.65 0.85 0.85 ! 0.8749 447:10 Ambig 2.92, 2.94 A or (resid 33 and name HA) (resid 42 and name HN) ! 0.1251 447:10 ----- 4.03, 4.35 A assign (resid 78 and name HA) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.9408 448:10 Long 4.74, 4.98 A assign (resid 104 and name HA) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.6072 449:10 Ambig 3.41, 3.61 A or (resid 102 and name HA) (resid 79 and name HN) ! 0.3042 449:10 ----- 3.83, 4.06 A assign (resid 78 and name HA) (resid 79 and name HN) 2.30 0.50 0.50 ! 0.8725 450:10 Ambig 2.12, 2.23 A or (resid 79 and name HA) (resid 79 and name HN) ! 0.1272 450:10 ----- 2.92, 2.93 A assign (resid 69 and name HA) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.9964 451:10 Intra 2.91, 2.92 A assign (resid 104 and name HA) (resid 105 and name HN) 2.30 0.50 0.50 ! 0.9996 452:10 Seq 2.28, 2.35 A assign (resid 78 and name HA) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.9906 453:10 Long 3.10, 3.40 A assign (resid 121 and name HA) (resid 121 and name HN) 3.15 1.35 1.35 ! 0.9959 454:10 Intra 2.89, 2.91 A assign (resid 120 and name HA) (resid 121 and name HN) 2.30 0.50 0.50 ! 0.9997 455:10 Seq 2.07, 2.11 A assign (resid 56 and name HA) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 456:10 Seq 4.60, 4.72 A assign (resid 23 and name HA) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.0000 457:10 Long 4.90, 5.08 A assign (resid 23 and name HB) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.0000 458:10 Long 4.06, 4.30 A assign (resid 23 and name HB) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.0000 460:10 Long 3.70, 3.92 A assign (resid 104 and name HA) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.9877 461:10 Mid 4.41, 4.55 A assign (resid 103 and name HA) (resid 104 and name HN) 2.65 0.85 0.85 ! 0.0000 463:10 Seq 2.40, 2.56 A assign (resid 18 and name HA) (resid 42 and name HN) 4.15 2.35 2.35 ! 0.7401 464:10 Ambig 5.77, 6.20 A or (resid 39 and name HA) (resid 42 and name HN) ! 0.1650 464:10 ----- 7.41, 7.66 A assign (resid 67 and name HA) (resid 68 and name HN) 2.65 0.85 0.85 ! 0.9987 465:10 Seq 2.29, 2.30 A assign (resid 68 and name HA) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.8420 466:10 Ambig 2.89, 2.90 A or (resid 118 and name HA) (resid 68 and name HN) ! 0.1548 466:10 ----- 3.83, 3.99 A assign (resid 66 and name HA) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.9977 467:10 Mid 3.50, 3.60 A assign (resid 84 and name HA) (resid 85 and name HN) 2.30 0.50 0.50 ! 0.9963 469:10 Seq 2.43, 2.52 A assign (resid 85 and name HA) (resid 85 and name HN) 2.65 0.85 0.85 ! 0.9942 470:10 Intra 2.78, 2.80 A assign (resid 47 and name HA) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.0000 471:10 Mid 3.20, 3.50 A assign (resid 48 and name HA) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.9484 472:10 Mid 4.04, 4.24 A assign (resid 51 and name HA) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.7862 473:10 Ambig 5.23, 5.31 A or (resid 52 and name HA) (resid 50 and name HN) ! 0.2138 473:10 ----- 6.50, 6.65 A assign (resid 52 and name HA) (resid 52 and name HN) 2.65 0.85 0.85 ! 0.7494 474:10 Ambig 2.79, 2.82 A or (resid 51 and name HA) (resid 52 and name HN) ! 0.2506 474:10 ----- 3.35, 3.45 A assign (resid 68 and name HA) (resid 69 and name HN) 2.65 0.85 0.85 ! 0.9943 475:10 Seq 2.14, 2.22 A assign (resid 105 and name HA) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.0000 476:10 Intra 2.75, 2.79 A assign (resid 137 and name HA) (resid 137 and name HN) 2.30 0.50 0.50 ! 0.2642 478:10 Ambig 2.76, 2.84 A or (resid 135 and name HA) (resid 135 and name HN) ! 0.2523 478:10 ----- 2.79, 2.82 A or (resid 132 and name HA) (resid 135 and name HN) ! 0.1388 478:10 ----- 3.08, 3.70 A or (resid 134 and name HA) (resid 137 and name HN) ! 0.0904 478:10 ----- 3.30, 3.68 A or (resid 136 and name HA) (resid 137 and name HN) ! 0.0706 478:10 ----- 3.44, 3.53 A or (resid 134 and name HA) (resid 135 and name HN) ! 0.0617 478:10 ----- 3.52, 3.56 A or (resid 131 and name HA) (resid 135 and name HN) ! 0.0508 478:10 ----- 3.64, 4.08 A assign (resid 86 and name HA) (resid 89 and name HN) 2.65 0.85 0.85 ! 0.8723 479:10 Ambig 3.07, 3.31 A or (resid 87 and name HA) (resid 89 and name HN) ! 0.1277 479:10 ----- 4.24, 4.45 A assign (resid 136 and name HB*) (resid 137 and name HN) 2.65 0.85 0.85 ! 0.9857 480:10 Seq 2.35, 3.33 A assign (resid 129 and name HA) (resid 132 and name HN) 3.65 1.85 1.85 ! 0.0000 482:10 Mid 4.09, 4.48 A assign (resid 132 and name HA) (resid 132 and name HN) 2.65 0.85 0.85 ! 0.6102 483:10 Ambig 2.79, 2.83 A or (resid 131 and name HA) (resid 132 and name HN) ! 0.2226 483:10 ----- 3.30, 3.49 A or (resid 130 and name HA) (resid 132 and name HN) ! 0.0938 483:10 ----- 3.81, 4.30 A assign (resid 5 and name HA) (resid 5 and name HN) 2.65 0.85 0.85 ! 0.9949 485:10 Intra 2.15, 2.60 A assign (resid 48 and name HA) (resid 51 and name HN) 2.65 0.85 0.85 ! 0.8872 486:10 Ambig 3.30, 3.48 A or (resid 54 and name HB2) (resid 51 and name HN) ! 0.0594 486:10 ----- 5.18, 5.71 A assign (resid 51 and name HA) (resid 51 and name HN) 2.65 0.85 0.85 ! 0.9718 487:10 Intra 2.81, 2.85 A assign (resid 75 and name HA) (resid 76 and name HN) 2.65 0.85 0.85 ! 0.8546 489:10 Ambig 3.01, 3.32 A or (resid 74 and name HA) (resid 76 and name HN) ! 0.1454 489:10 ----- 4.04, 4.65 A assign (resid 55 and name HA) (resid 55 and name HN) 2.65 0.85 0.85 ! 0.0000 490:10 Intra 2.92, 2.94 A assign (resid 54 and name HB1) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.5108 491:10 Ambig 3.09, 4.12 A or (resid 54 and name HB2) (resid 55 and name HN) ! 0.4833 491:10 ----- 3.12, 3.61 A assign (resid 62 and name HA) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.7181 492:10 Ambig 4.44, 4.66 A or (resid 87 and name HA) (resid 64 and name HN) ! 0.1561 492:10 ----- 5.73, 5.95 A or (resid 86 and name HA) (resid 64 and name HN) ! 0.1258 492:10 ----- 5.94, 6.10 A assign (resid 63 and name HA) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.9864 493:10 Seq 3.49, 3.53 A assign (resid 64 and name HA) (resid 64 and name HN) 2.65 0.85 0.85 ! 0.7445 494:10 Ambig 2.82, 2.85 A or (resid 60 and name HA) (resid 64 and name HN) ! 0.2482 494:10 ----- 3.38, 3.57 A assign (resid 62 and name HA) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9877 495:10 Seq 3.15, 3.19 A assign (resid 63 and name HA) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9823 496:10 Intra 2.93, 2.94 A assign (resid 60 and name HA) (resid 63 and name HN) 2.65 0.85 0.85 ! 0.8641 497:10 Ambig 2.96, 3.20 A or (resid 62 and name HB1) (resid 63 and name HN) ! 0.0783 497:10 ----- 4.42, 4.49 A assign (resid 107 and name HA) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.9988 498:10 Intra 2.82, 2.84 A assign (resid 105 and name HA) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.9912 499:10 Mid 3.93, 4.14 A assign (resid 106 and name HA) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.9884 500:10 Seq 3.44, 3.51 A assign (resid 72 and name HA) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.9435 501:10 Long 3.28, 3.62 A assign (resid 73 and name HB*) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.0000 502:10 Long 4.38, 5.54 A assign (resid 80 and name HB1) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.0000 503:10 Intra 3.60, 3.62 A assign (resid 35 and name HA) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.0000 505:10 Long 3.37, 3.68 A assign (resid 67 and name HD*) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.9805 506:10 Seq 5.04, 5.45 A assign (resid 72 and name HA) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.7236 507:10 Ambig 4.87, 5.08 A or (resid 77 and name HA2) (resid 79 and name HN) ! 0.2764 507:10 ----- 5.72, 5.95 A assign (resid 73 and name HB*) (resid 79 and name HN) 4.15 2.35 2.35 ! 0.0000 508:10 Long 4.60, 5.30 A assign (resid 86 and name HB2) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.7336 509:10 Ambig 4.65, 4.98 A or (resid 86 and name HB1) (resid 85 and name HN) ! 0.1925 509:10 ----- 5.81, 6.13 A assign (resid 50 and name HA) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.0000 510:10 Intra 2.78, 2.80 A assign (resid 49 and name HA) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.9838 511:10 Seq 3.48, 3.51 A assign (resid 50 and name HA) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.0000 512:10 Mid 3.94, 4.24 A assign (resid 49 and name HA) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.9401 513:10 Mid 3.29, 3.40 A assign (resid 53 and name HB1) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.7485 514:10 Ambig 5.17, 5.37 A or (resid 115 and name HB1) (resid 52 and name HN) ! 0.2515 514:10 ----- 6.20, 6.52 A assign (resid 87 and name HB1) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.9026 515:10 Long 4.65, 4.91 A assign (resid 77 and name HA2) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.9767 516:10 Long 4.08, 4.50 A assign (resid 86 and name HB1) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.3896 517:10 Ambig 5.02, 5.32 A or (resid 86 and name HB2) (resid 89 and name HN) ! 0.3279 517:10 ----- 5.16, 5.43 A or (resid 87 and name HB1) (resid 89 and name HN) ! 0.2825 517:10 ----- 5.29, 5.49 A assign (resid 28 and name HA) (resid 28 and name HN) 2.65 0.85 0.85 ! 0.7154 518:10 Ambig 2.83, 2.84 A or (resid 25 and name HA) (resid 28 and name HN) ! 0.2846 518:10 ----- 3.29, 3.59 A assign (resid 50 and name HA) (resid 51 and name HN) 3.15 1.35 1.35 ! 0.0000 519:10 Seq 3.48, 3.54 A assign (resid 49 and name HA) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.9394 520:10 Mid 4.35, 4.54 A assign (resid 73 and name HB*) (resid 76 and name HN) 3.65 1.85 1.85 ! 0.0000 522:10 Mid 2.65, 3.66 A assign (resid 53 and name HA) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.9698 523:10 Mid 3.44, 3.63 A assign (resid 61 and name HB1) (resid 64 and name HN) 4.15 2.35 2.35 ! 0.0000 524:10 Mid 5.81, 6.03 A assign (resid 86 and name HB1) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.9637 525:10 Long 3.61, 3.79 A assign (resid 86 and name HB1) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.9053 526:10 Long 4.85, 4.96 A assign (resid 61 and name HB1) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.0000 527:10 Mid 5.05, 5.14 A assign (resid 80 and name HB2) (resid 80 and name HN) 2.65 0.85 0.85 ! 0.9866 529:10 Intra 2.43, 2.49 A assign (resid 79 and name HB1) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.8760 530:10 Ambig 2.86, 3.03 A or (resid 79 and name HB2) (resid 80 and name HN) ! 0.1240 530:10 ----- 3.97, 4.08 A assign (resid 42 and name HB*) (resid 42 and name HN) 2.65 0.85 0.85 ! 0.9945 533:10 Intra 2.46, 2.87 A assign (resid 107 and name HB1) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.9314 534:10 Mid 3.70, 3.96 A assign (resid 41 and name HB1) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.0000 535:10 Seq 2.57, 2.88 A assign (resid 41 and name HB2) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.8991 536:10 Ambig 3.76, 3.98 A or (resid 33 and name HE*) (resid 42 and name HN) ! 0.1009 536:10 ----- 5.41, 6.82 A assign (resid 107 and name HB2) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.0000 537:10 Mid 2.42, 2.64 A assign (resid 68 and name HB1) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.8479 538:10 Ambig 3.61, 3.62 A or (resid 120 and name HB2) (resid 68 and name HN) ! 0.1166 538:10 ----- 5.03, 5.25 A assign (resid 68 and name HB2) (resid 68 and name HN) 2.65 0.85 0.85 ! 0.9983 539:10 Intra 2.48, 2.50 A assign (resid 70 and name HB1) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.3980 540:10 Ambig 5.57, 5.69 A or (resid 105 and name HB*) (resid 79 and name HN) ! 0.3683 540:10 ----- 5.64, 6.34 A or (resid 70 and name HB2) (resid 79 and name HN) ! 0.0872 540:10 ----- 7.17, 7.28 A or (resid 107 and name HB1) (resid 79 and name HN) ! 0.0763 540:10 ----- 7.33, 7.54 A assign (resid 72 and name HE*) (resid 79 and name HN) 4.15 2.35 2.35 ! 0.0000 541:10 Long 5.52, 7.36 A assign (resid 79 and name HB2) (resid 79 and name HN) 2.65 0.85 0.85 ! 0.9023 542:10 Intra 2.55, 2.64 A assign (resid 84 and name HG*) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.0000 543:10 Seq 3.64, 4.46 A assign (resid 84 and name HB*) (resid 85 and name HN) 2.30 0.50 0.50 ! 0.0000 544:10 Seq 1.92, 2.76 A assign (resid 53 and name HB2) (resid 52 and name HN) 4.15 2.35 2.35 ! 0.8267 545:10 Ambig 4.80, 6.15 A or (resid 48 and name HG1) (resid 52 and name HN) ! 0.0901 545:10 ----- 6.95, 7.15 A assign (resid 47 and name HB1) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.4536 546:10 Ambig 5.18, 5.36 A or (resid 53 and name HB2) (resid 50 and name HN) ! 0.3389 546:10 ----- 5.44, 6.82 A or (resid 48 and name HG1) (resid 50 and name HN) ! 0.2075 546:10 ----- 5.90, 6.12 A assign (resid 50 and name HG2) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.9699 547:10 Intra 3.27, 3.36 A assign (resid 68 and name HB1) (resid 69 and name HN) 2.65 0.85 0.85 ! 0.9450 548:10 Seq 2.84, 2.99 A assign (resid 105 and name HB*) (resid 105 and name HN) 2.30 0.50 0.50 ! 0.9973 549:10 Intra 2.35, 2.62 A assign (resid 120 and name HB1) (resid 121 and name HN) 3.15 1.35 1.35 ! 0.8048 550:10 Ambig 3.22, 3.54 A or (resid 88 and name HE2) (resid 82 and name HN) ! 0.1351 550:10 ----- 4.33, 4.92 A assign (resid 6 and name HB1) (resid 7 and name HN) 3.15 1.35 1.35 ! 0.8197 551:10 Ambig 1.85, 3.56 A or (resid 6 and name HB2) (resid 7 and name HN) ! 0.1415 551:10 ----- 2.48, 3.71 A assign (resid 137 and name HG1) (resid 137 and name HN) 2.30 0.50 0.50 ! 0.4591 552:10 Ambig 2.22, 3.48 A or (resid 137 and name HG2) (resid 137 and name HN) ! 0.4464 552:10 ----- 2.23, 2.71 A assign (resid 129 and name HB*) (resid 132 and name HN) 4.15 2.35 2.35 ! 0.0000 553:10 Mid 1.86, 3.13 A assign (resid 131 and name HG2) (resid 132 and name HN) 3.15 1.35 1.35 ! 0.9641 554:10 Seq 2.22, 3.73 A assign (resid 29 and name HB2) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.5752 555:10 Ambig 4.66, 4.83 A or (resid 46 and name HE1) (resid 28 and name HN) ! 0.4248 555:10 ----- 4.90, 6.27 A assign (resid 51 and name HE*) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.9778 556:10 Intra 4.03, 4.79 A assign (resid 50 and name HG2) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.6915 557:10 Ambig 4.86, 5.00 A or (resid 48 and name HG2) (resid 51 and name HN) ! 0.3085 557:10 ----- 5.56, 5.86 A assign (resid 65 and name HE*) (resid 64 and name HN) 4.15 2.35 2.35 ! 0.7071 558:10 Ambig 5.74, 7.33 A or (resid 59 and name HB2) (resid 64 and name HN) ! 0.2259 558:10 ----- 6.94, 7.17 A assign (resid 61 and name HB2) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.5902 559:10 Ambig 4.68, 4.79 A or (resid 25 and name HE*) (resid 63 and name HN) ! 0.2996 559:10 ----- 5.24, 7.97 A or (resid 59 and name HB1) (resid 63 and name HN) ! 0.0951 559:10 ----- 6.35, 6.76 A assign (resid 107 and name HB1) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.7669 560:10 Ambig 3.54, 3.60 A or (resid 105 and name HB*) (resid 107 and name HN) ! 0.1361 560:10 ----- 4.72, 5.43 A assign (resid 107 and name HB2) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.0000 561:10 Intra 2.32, 2.42 A assign (resid 71 and name HB) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.9479 562:10 Long 2.85, 3.05 A assign (resid 71 and name HG11) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.9510 563:10 Long 5.06, 5.31 A assign (resid 72 and name HB2) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.5126 564:10 Ambig 5.56, 5.76 A or (resid 72 and name HD*) (resid 80 and name HN) ! 0.4090 564:10 ----- 5.78, 7.66 A assign (resid 43 and name HG1) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.8055 565:10 Ambig 4.71, 5.28 A or (resid 36 and name HB1) (resid 42 and name HN) ! 0.1945 565:10 ----- 5.97, 6.45 A assign (resid 34 and name HB) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.4960 566:10 Ambig 4.93, 5.06 A or (resid 43 and name HG2) (resid 42 and name HN) ! 0.3643 566:10 ----- 5.19, 5.79 A or (resid 20 and name HG2) (resid 42 and name HN) ! 0.1083 566:10 ----- 6.35, 7.06 A assign (resid 103 and name HB) (resid 104 and name HN) 2.30 0.50 0.50 ! 0.9512 567:10 Seq 2.10, 2.20 A assign (resid 104 and name HB2) (resid 104 and name HN) 2.30 0.50 0.50 ! 0.6044 568:10 Ambig 2.25, 2.40 A or (resid 104 and name HG) (resid 104 and name HN) ! 0.3883 568:10 ----- 2.42, 2.89 A assign (resid 36 and name HG) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.9704 569:10 Long 3.01, 3.49 A assign (resid 67 and name HB1) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.7389 570:10 Ambig 2.87, 2.94 A or (resid 118 and name HB1) (resid 68 and name HN) ! 0.2526 570:10 ----- 3.43, 3.65 A assign (resid 67 and name HB2) (resid 68 and name HN) 2.65 0.85 0.85 ! 0.8788 571:10 Ambig 3.03, 3.10 A or (resid 118 and name HB2) (resid 68 and name HN) ! 0.1157 571:10 ----- 4.25, 4.38 A assign (resid 66 and name HB) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.7867 572:10 Ambig 3.79, 3.89 A or (resid 67 and name HG1) (resid 68 and name HN) ! 0.1919 572:10 ----- 4.80, 4.87 A assign (resid 78 and name HG1) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.0000 573:10 Seq 4.84, 4.94 A assign (resid 78 and name HB1) (resid 79 and name HN) 2.65 0.85 0.85 ! 0.9046 574:10 Seq 2.45, 2.78 A assign (resid 72 and name HD*) (resid 79 and name HN) 4.15 2.35 2.35 ! 0.6293 575:10 Ambig 5.87, 7.95 A or (resid 72 and name HB2) (resid 79 and name HN) ! 0.3108 575:10 ----- 6.60, 7.17 A assign (resid 85 and name HB1) (resid 85 and name HN) 2.65 0.85 0.85 ! 0.9847 576:10 Intra 2.43, 2.54 A assign (resid 85 and name HG1) (resid 85 and name HN) 2.65 0.85 0.85 ! 0.6448 577:10 Ambig 3.19, 3.40 A or (resid 85 and name HB2) (resid 85 and name HN) ! 0.3382 577:10 ----- 3.55, 3.60 A assign (resid 50 and name HB*) (resid 50 and name HN) 2.30 0.50 0.50 ! 0.9823 578:10 Intra 2.45, 3.05 A assign (resid 51 and name HG*) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.9028 579:10 Seq 3.91, 4.66 A assign (resid 51 and name HB*) (resid 52 and name HN) 2.65 0.85 0.85 ! 0.7956 580:10 Ambig 3.71, 3.98 A or (resid 50 and name HB*) (resid 52 and name HN) ! 0.1824 580:10 ----- 4.74, 5.19 A assign (resid 52 and name HB1) (resid 52 and name HN) 2.65 0.85 0.85 ! 0.9977 581:10 Intra 2.33, 2.41 A assign (resid 52 and name HB2) (resid 52 and name HN) 2.30 0.50 0.50 ! 0.9990 582:10 Intra 2.49, 2.58 A assign (resid 69 and name HB) (resid 69 and name HN) 2.65 0.85 0.85 ! 0.9913 583:10 Intra 2.49, 2.58 A assign (resid 104 and name HB1) (resid 105 and name HN) 2.30 0.50 0.50 ! 0.9346 584:10 Seq 2.13, 2.33 A assign (resid 135 and name HB*) (resid 135 and name HN) 2.30 0.50 0.50 ! 0.3303 585:10 Ambig 2.23, 3.00 A or (resid 135 and name HG) (resid 135 and name HN) ! 0.3138 585:10 ----- 2.25, 3.13 A or (resid 137 and name HB2) (resid 137 and name HN) ! 0.2538 585:10 ----- 2.33, 2.46 A or (resid 134 and name HB2) (resid 135 and name HN) ! 0.0896 585:10 ----- 2.77, 3.68 A assign (resid 89 and name HB2) (resid 89 and name HN) 2.30 0.50 0.50 ! 0.6194 586:10 Ambig 2.23, 2.50 A or (resid 89 and name HB1) (resid 89 and name HN) ! 0.3805 586:10 ----- 2.42, 2.50 A assign (resid 134 and name HB1) (resid 135 and name HN) 2.30 0.50 0.50 ! 0.9346 587:10 Seq 2.04, 2.46 A assign (resid 88 and name HB2) (resid 89 and name HN) 2.30 0.50 0.50 ! 0.8576 588:10 Ambig 2.46, 2.62 A or (resid 88 and name HB1) (resid 89 and name HN) ! 0.0881 588:10 ----- 3.59, 3.68 A assign (resid 132 and name HB1) (resid 132 and name HN) 2.30 0.50 0.50 ! 0.9985 589:10 Intra 2.20, 2.54 A assign (resid 75 and name HB2) (resid 76 and name HN) 2.65 0.85 0.85 ! 0.6140 590:10 Ambig 2.37, 3.30 A or (resid 76 and name HB) (resid 76 and name HN) ! 0.3821 590:10 ----- 2.57, 2.76 A assign (resid 50 and name HB*) (resid 51 and name HN) 2.30 0.50 0.50 ! 0.5313 591:10 Ambig 2.43, 3.15 A or (resid 51 and name HB*) (resid 51 and name HN) ! 0.4678 591:10 ----- 2.48, 3.23 A assign (resid 10 and name HG) (resid 10 and name HN) 2.30 0.50 0.50 ! 0.7311 592:10 Ambig 1.89, 2.79 A or (resid 10 and name HB2) (resid 10 and name HN) ! 0.2066 592:10 ----- 2.33, 3.08 A assign (resid 55 and name HB1) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.9045 593:10 Intra 3.60, 3.70 A assign (resid 55 and name HB2) (resid 55 and name HN) 2.30 0.50 0.50 ! 0.9179 594:10 Intra 2.37, 2.54 A assign (resid 64 and name HB) (resid 64 and name HN) 2.30 0.50 0.50 ! 0.9949 595:10 Intra 2.42, 2.47 A assign (resid 24 and name HG11) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.6639 596:10 Ambig 3.99, 4.10 A or (resid 60 and name HB2) (resid 64 and name HN) ! 0.2644 596:10 ----- 4.65, 4.73 A assign (resid 64 and name HB) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.7443 597:10 Ambig 4.11, 4.22 A or (resid 25 and name HD*) (resid 63 and name HN) ! 0.1355 597:10 ----- 5.46, 6.51 A or (resid 25 and name HB1) (resid 63 and name HN) ! 0.1066 597:10 ----- 5.68, 6.69 A assign (resid 25 and name HG*) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.3809 598:10 Ambig 4.81, 6.99 A or (resid 24 and name HG11) (resid 63 and name HN) ! 0.3197 598:10 ----- 4.95, 5.09 A or (resid 60 and name HB2) (resid 63 and name HN) ! 0.2826 598:10 ----- 5.05, 5.12 A assign (resid 106 and name HB) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 599:10 Seq 4.03, 4.08 A assign (resid 104 and name HB1) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.7597 600:10 Ambig 3.33, 3.61 A or (resid 103 and name HB) (resid 107 and name HN) ! 0.1861 600:10 ----- 4.21, 4.41 A assign (resid 104 and name HB2) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.9512 601:10 Mid 2.52, 2.84 A assign (resid 71 and name HG2*) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.6311 602:10 Ambig 4.29, 5.13 A or (resid 72 and name HG2) (resid 80 and name HN) ! 0.1347 602:10 ----- 5.55, 6.19 A or (resid 71 and name HD1*) (resid 80 and name HN) ! 0.1074 602:10 ----- 5.76, 6.46 A or (resid 69 and name HG2*) (resid 80 and name HN) ! 0.0467 602:10 ----- 6.62, 7.71 A assign (resid 102 and name HG1*) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.9095 603:10 Long 3.49, 4.71 A assign (resid 33 and name HG1) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.6672 604:10 Ambig 3.10, 3.81 A or (resid 33 and name HG2) (resid 42 and name HN) ! 0.2669 604:10 ----- 3.61, 4.18 A assign (resid 36 and name HD1*) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.8760 605:10 Ambig 3.91, 5.30 A or (resid 44 and name HG1*) (resid 42 and name HN) ! 0.1087 605:10 ----- 5.53, 6.28 A assign (resid 104 and name HD2*) (resid 104 and name HN) 2.65 0.85 0.85 ! 0.8079 606:10 Ambig 2.84, 4.30 A or (resid 104 and name HD1*) (resid 104 and name HN) ! 0.1182 606:10 ----- 3.91, 4.75 A assign (resid 34 and name HD1*) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.9885 607:10 Long 2.47, 3.76 A assign (resid 95 and name HD1*) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.6445 608:10 Ambig 4.55, 5.67 A or (resid 99 and name HD1*) (resid 104 and name HN) ! 0.1018 608:10 ----- 6.19, 7.45 A or (resid 81 and name HG2*) (resid 104 and name HN) ! 0.0671 608:10 ----- 6.63, 7.03 A or (resid 91 and name HG2*) (resid 104 and name HN) ! 0.0631 608:10 ----- 6.70, 7.26 A or (resid 111 and name HD1*) (resid 104 and name HN) ! 0.0561 608:10 ----- 6.84, 7.76 A assign (resid 67 and name HG2) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.5499 609:10 Ambig 5.11, 5.14 A or (resid 66 and name HG11) (resid 68 and name HN) ! 0.1994 609:10 ----- 6.05, 6.16 A or (resid 34 and name HG12) (resid 68 and name HN) ! 0.0721 609:10 ----- 7.17, 7.36 A or (resid 18 and name HB2) (resid 68 and name HN) ! 0.0574 609:10 ----- 7.45, 7.71 A or (resid 91 and name HG11) (resid 68 and name HN) ! 0.0394 609:10 ----- 7.93, 8.11 A assign (resid 119 and name HG11) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.9735 610:10 Long 4.34, 4.44 A assign (resid 69 and name HD1*) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.5711 611:10 Ambig 4.17, 5.27 A or (resid 118 and name HD2*) (resid 68 and name HN) ! 0.1335 611:10 ----- 5.32, 6.34 A or (resid 118 and name HD1*) (resid 68 and name HN) ! 0.1009 611:10 ----- 5.57, 6.45 A or (resid 119 and name HD1*) (resid 68 and name HN) ! 0.0790 611:10 ----- 5.80, 6.22 A or (resid 64 and name HG1*) (resid 68 and name HN) ! 0.0417 611:10 ----- 6.45, 6.97 A assign (resid 104 and name HD2*) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.5510 612:10 Ambig 4.44, 5.80 A or (resid 104 and name HD1*) (resid 79 and name HN) ! 0.3482 612:10 ----- 4.79, 7.78 A or (resid 76 and name HG2*) (resid 79 and name HN) ! 0.0805 612:10 ----- 6.11, 7.36 A assign (resid 102 and name HG1*) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.8724 613:10 Ambig 3.64, 4.61 A or (resid 81 and name HG2*) (resid 79 and name HN) ! 0.0914 613:10 ----- 5.30, 6.21 A assign (resid 85 and name HG2) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.9939 614:10 Intra 2.03, 2.19 A assign (resid 46 and name HG2) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.5897 615:10 Ambig 3.87, 4.31 A or (resid 46 and name HG1) (resid 50 and name HN) ! 0.3601 615:10 ----- 4.20, 4.40 A assign (resid 49 and name HG1*) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.5690 616:10 Ambig 3.73, 4.49 A or (resid 49 and name HG2*) (resid 50 and name HN) ! 0.3683 616:10 ----- 4.02, 4.64 A assign (resid 52 and name HG) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.9258 617:10 Intra 4.39, 4.44 A assign (resid 56 and name HG2*) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.9342 618:10 Mid 5.66, 6.61 A assign (resid 118 and name HD1*) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.6959 619:10 Ambig 4.39, 5.26 A or (resid 49 and name HG2*) (resid 52 and name HN) ! 0.1240 619:10 ----- 5.85, 6.32 A or (resid 118 and name HD2*) (resid 52 and name HN) ! 0.0813 619:10 ----- 6.27, 7.44 A assign (resid 69 and name HG12) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.7672 620:10 Ambig 4.35, 4.45 A or (resid 18 and name HG1) (resid 69 and name HN) ! 0.0842 620:10 ----- 6.29, 7.55 A or (resid 91 and name HG11) (resid 69 and name HN) ! 0.0625 620:10 ----- 6.61, 6.80 A assign (resid 71 and name HG12) (resid 69 and name HN) 4.15 2.35 2.35 ! 0.5760 621:10 Ambig 6.30, 6.72 A or (resid 119 and name HG11) (resid 69 and name HN) ! 0.2010 621:10 ----- 7.51, 7.65 A or (resid 121 and name HG12) (resid 69 and name HN) ! 0.1598 621:10 ----- 7.80, 7.99 A assign (resid 69 and name HD1*) (resid 69 and name HN) 2.65 0.85 0.85 ! 0.9622 622:10 Intra 2.38, 3.44 A assign (resid 104 and name HD1*) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.7479 623:10 Ambig 2.86, 5.00 A or (resid 104 and name HD2*) (resid 105 and name HN) ! 0.2290 623:10 ----- 3.48, 4.38 A assign (resid 133 and name HG2*) (resid 137 and name HN) 3.15 1.35 1.35 ! 0.8694 624:10 Ambig 3.86, 5.10 A or (resid 133 and name HG2*) (resid 135 and name HN) ! 0.0919 624:10 ----- 5.61, 6.46 A assign (resid 135 and name HD2*) (resid 135 and name HN) 2.65 0.85 0.85 ! 0.9396 625:10 Intra 2.36, 3.71 A assign (resid 76 and name HD1*) (resid 76 and name HN) 2.65 0.85 0.85 ! 0.9923 626:10 Intra 1.92, 3.77 A assign (resid 4 and name HG*) (resid 5 and name HN) 3.15 1.35 1.35 ! 0.0000 629:10 Seq 1.82, 3.98 A assign (resid 46 and name HG1) (resid 51 and name HN) 4.15 2.35 2.35 ! 0.4645 631:10 Ambig 6.44, 7.04 A or (resid 52 and name HG) (resid 51 and name HN) ! 0.3717 631:10 ----- 6.69, 6.82 A or (resid 27 and name HB*) (resid 51 and name HN) ! 0.0727 631:10 ----- 8.78, 9.38 A assign (resid 76 and name HG12) (resid 76 and name HN) 3.15 1.35 1.35 ! 0.9991 632:10 Intra 2.31, 3.47 A assign (resid 56 and name HG11) (resid 55 and name HN) 4.15 2.35 2.35 ! 0.5240 633:10 Ambig 6.39, 6.51 A or (resid 94 and name HG) (resid 55 and name HN) ! 0.3154 633:10 ----- 6.96, 7.13 A or (resid 94 and name HB2) (resid 55 and name HN) ! 0.0929 633:10 ----- 8.53, 8.81 A assign (resid 94 and name HD2*) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.8322 634:10 Ambig 4.71, 5.14 A or (resid 56 and name HD1*) (resid 55 and name HN) ! 0.1004 634:10 ----- 6.70, 7.25 A assign (resid 64 and name HG2*) (resid 64 and name HN) 2.30 0.50 0.50 ! 0.9302 635:10 Intra 2.12, 3.14 A assign (resid 63 and name HB2) (resid 64 and name HN) 2.30 0.50 0.50 ! 0.9532 636:10 Seq 2.40, 2.62 A assign (resid 63 and name HB1) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.4309 637:10 Ambig 3.67, 3.71 A or (resid 64 and name HG2*) (resid 63 and name HN) ! 0.3668 637:10 ----- 3.77, 4.90 A or (resid 23 and name HG2*) (resid 63 and name HN) ! 0.2000 637:10 ----- 4.17, 4.97 A assign (resid 63 and name HB2) (resid 63 and name HN) 2.65 0.85 0.85 ! 0.9822 638:10 Intra 2.51, 2.56 A assign (resid 106 and name HG1*) (resid 107 and name HN) 2.30 0.50 0.50 ! 0.9435 639:10 Seq 2.29, 3.13 A assign (resid 108 and name HG2*) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 640:10 Long 5.99, 6.71 A assign (resid 103 and name HG2*) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.5027 641:10 Ambig 3.54, 4.33 A or (resid 103 and name HG11) (resid 104 and name HN) ! 0.4973 641:10 ----- 3.54, 3.67 A assign (resid 36 and name HD2*) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.0000 642:10 Long 3.64, 4.79 A assign (resid 119 and name HG2*) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.7000 643:10 Ambig 4.65, 5.71 A or (resid 66 and name HD1*) (resid 68 and name HN) ! 0.1360 643:10 ----- 6.10, 6.87 A or (resid 52 and name HD2*) (resid 68 and name HN) ! 0.0911 643:10 ----- 6.53, 7.32 A assign (resid 66 and name HG2*) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.9540 644:10 Mid 3.70, 4.88 A assign (resid 108 and name HG2*) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.0000 645:10 Long 4.32, 4.90 A assign (resid 28 and name HD2*) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.9031 646:10 Long 3.87, 4.43 A assign (resid 28 and name HD1*) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.8643 647:10 Ambig 6.07, 6.93 A or (resid 66 and name HG2*) (resid 50 and name HN) ! 0.1357 647:10 ----- 8.27, 9.55 A assign (resid 52 and name HD1*) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.3944 649:10 Ambig 4.69, 5.16 A or (resid 52 and name HD2*) (resid 52 and name HN) ! 0.3837 649:10 ----- 4.72, 5.19 A or (resid 28 and name HD2*) (resid 52 and name HN) ! 0.1593 649:10 ----- 5.46, 6.84 A assign (resid 24 and name HG2*) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.6875 650:10 Ambig 5.56, 6.43 A or (resid 28 and name HD1*) (resid 52 and name HN) ! 0.2015 650:10 ----- 6.82, 8.15 A or (resid 66 and name HG2*) (resid 52 and name HN) ! 0.1110 650:10 ----- 7.53, 8.62 A assign (resid 119 and name HG2*) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.9419 651:10 Long 5.37, 6.71 A assign (resid 91 and name HD1*) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.6392 652:10 Ambig 6.12, 7.34 A or (resid 66 and name HG2*) (resid 69 and name HN) ! 0.3608 652:10 ----- 6.73, 7.89 A assign (resid 108 and name HG1*) (resid 105 and name HN) 4.15 2.35 2.35 ! 0.0000 653:10 Mid 6.97, 7.69 A assign (resid 108 and name HG2*) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.0000 654:10 Mid 4.67, 5.67 A assign (resid 119 and name HG2*) (resid 121 and name HN) 3.15 1.35 1.35 ! 0.9547 655:10 Mid 3.40, 4.53 A assign (resid 28 and name HD1*) (resid 28 and name HN) 2.65 0.85 0.85 ! 0.9901 656:10 Intra 3.69, 4.37 A assign (resid 28 and name HD2*) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.6298 657:10 Ambig 5.48, 6.39 A or (resid 52 and name HD2*) (resid 51 and name HN) ! 0.1985 657:10 ----- 6.64, 7.32 A or (resid 52 and name HD1*) (resid 51 and name HN) ! 0.1304 657:10 ----- 7.12, 7.63 A assign (resid 63 and name HD2*) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.9568 658:10 Seq 5.18, 5.74 A assign (resid 66 and name HG2*) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.6087 659:10 Ambig 5.95, 7.02 A or (resid 24 and name HG2*) (resid 64 and name HN) ! 0.3913 659:10 ----- 6.40, 7.15 A assign (resid 24 and name HD1*) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.9067 660:10 Long 4.58, 5.73 A assign (resid 63 and name HD2*) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9696 661:10 Intra 3.98, 4.74 A assign (resid 24 and name HG2*) (resid 63 and name HN) 4.15 2.35 2.35 ! 0.5774 662:10 Ambig 6.68, 7.40 A or (resid 66 and name HG2*) (resid 63 and name HN) ! 0.2937 662:10 ----- 7.48, 8.58 A or (resid 28 and name HD1*) (resid 63 and name HN) ! 0.1290 662:10 ----- 8.58, 9.62 A assign (resid 103 and name HG11) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.7745 663:10 Ambig 4.93, 5.21 A or (resid 103 and name HG2*) (resid 107 and name HN) ! 0.2255 663:10 ----- 6.06, 6.79 A assign (resid 108 and name HG1*) (resid 107 and name HN) 4.15 2.35 2.35 ! 0.0000 664:10 Seq 6.65, 6.93 A assign (resid 108 and name HG2*) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 665:10 Seq 3.90, 5.12 A assign (resid 103 and name HD1*) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.0000 666:10 Seq 4.20, 5.10 A assign (resid 63 and name HD1*) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.0000 667:10 Seq 4.76, 5.54 A assign (resid 63 and name HD1*) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.0000 668:10 Intra 4.20, 4.88 A assign (resid 117 and name HN) (resid 118 and name HN) 3.15 1.35 1.35 ! 0.0000 669:10 Seq 2.41, 2.46 A assign (resid 117 and name HN) (resid 119 and name HN) 3.65 1.85 1.85 ! 0.0000 670:10 Mid 4.22, 4.36 A assign (resid 86 and name HE1) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.0000 671:10 Intra 4.42, 4.50 A assign (resid 42 and name HN) (resid 34 and name HN) 3.15 1.35 1.35 ! 0.9049 672:10 Long 2.98, 3.13 A assign (resid 19 and name HN) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.0000 673:10 Long 3.50, 3.70 A assign (resid 104 and name HN) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.0000 674:10 Mid 4.45, 4.59 A assign (resid 47 and name HN) (resid 49 and name HN) 3.65 1.85 1.85 ! 0.7904 675:10 Ambig 3.87, 3.95 A or (resid 46 and name HN) (resid 49 and name HN) ! 0.2096 675:10 ----- 4.82, 4.90 A assign (resid 112 and name HN) (resid 111 and name HN) 2.65 0.85 0.85 ! 0.0000 676:10 Seq 2.64, 2.70 A assign (resid 66 and name HN) (resid 24 and name HN) 3.65 1.85 1.85 ! 0.0000 677:10 Long 4.25, 4.47 A assign (resid 120 and name HN) (resid 119 and name HN) 3.15 1.35 1.35 ! 0.6125 678:10 Ambig 4.26, 4.33 A or (resid 68 and name HN) (resid 119 and name HN) ! 0.3875 678:10 ----- 4.60, 4.66 A assign (resid 112 and name HN) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.0000 679:10 Mid 3.89, 4.07 A assign (resid 47 and name HN) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.9432 680:10 Seq 2.65, 2.72 A assign (resid 85 and name HN) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.0000 681:10 Seq 2.34, 2.60 A assign (resid 101 and name HN) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.9986 682:10 Seq 2.19, 2.57 A assign (resid 39 and name HN) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.8889 683:10 Ambig 3.91, 4.07 A or (resid 15 and name HN) (resid 37 and name HN) ! 0.0839 683:10 ----- 5.79, 6.15 A assign (resid 95 and name HN) (resid 94 and name HN) 2.65 0.85 0.85 ! 0.0000 684:10 Seq 2.67, 2.75 A assign (resid 109 and name HN) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.0000 685:10 Seq 2.53, 2.64 A assign (resid 50 and name HN) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.9996 686:10 Seq 2.30, 2.42 A assign (resid 36 and name HN) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.7973 687:10 Ambig 3.40, 3.55 A or (resid 41 and name HN) (resid 40 and name HN) ! 0.1414 687:10 ----- 4.53, 4.57 A assign (resid 39 and name HN) (resid 40 and name HN) 2.30 0.50 0.50 ! 0.9995 688:10 Seq 2.55, 2.69 A assign (resid 14 and name HN) (resid 13 and name HN) 2.65 0.85 0.85 ! 0.5089 689:10 Ambig 2.16, 2.40 A or (resid 12 and name HN) (resid 13 and name HN) ! 0.4640 689:10 ----- 2.19, 2.39 A assign (resid 89 and name HN) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.9372 690:10 Seq 2.46, 2.54 A assign (resid 23 and name HN) (resid 24 and name HN) 3.65 1.85 1.85 ! 0.0000 691:10 Seq 4.43, 4.48 A assign (resid 118 and name HN) (resid 119 and name HN) 2.30 0.50 0.50 ! 0.0000 692:10 Seq 2.49, 2.57 A assign (resid 109 and name HN) (resid 110 and name HN) 2.65 0.85 0.85 ! 0.0000 693:10 Seq 2.70, 2.77 A assign (resid 50 and name HN) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.9912 694:10 Mid 3.87, 3.98 A assign (resid 45 and name HN) (resid 48 and name HN) 3.65 1.85 1.85 ! 0.0000 695:10 Mid 4.74, 4.87 A assign (resid 111 and name HN) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.0000 696:10 Seq 2.64, 2.70 A assign (resid 102 and name HN) (resid 100 and name HN) 3.65 1.85 1.85 ! 0.9994 697:10 Mid 2.46, 3.16 A assign (resid 113 and name HN) (resid 112 and name HN) 2.65 0.85 0.85 ! 0.9633 698:10 Seq 2.63, 2.76 A assign (resid 33 and name HN) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.0000 699:10 Seq 3.95, 4.09 A assign (resid 102 and name HN) (resid 103 and name HN) 3.65 1.85 1.85 ! 0.0000 700:10 Seq 4.28, 4.39 A assign (resid 17 and name HN) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.8564 701:10 Ambig 3.39, 3.59 A or (resid 16 and name HN) (resid 37 and name HN) ! 0.0787 701:10 ----- 5.04, 5.24 A assign (resid 38 and name HN) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.9893 702:10 Seq 2.58, 2.69 A assign (resid 37 and name HD21) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.9909 703:10 Intra 2.43, 3.20 A assign (resid 13 and name HN) (resid 12 and name HN) 2.65 0.85 0.85 ! 0.0000 704:10 Seq 2.19, 2.39 A assign (resid 13 and name HN) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.0000 705:10 Seq 2.16, 2.40 A assign (resid 14 and name HD*) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.9851 706:10 Intra 2.29, 3.74 A assign (resid 80 and name HE*) (resid 74 and name HN) 3.65 1.85 1.85 ! 0.8785 707:10 Ambig 3.49, 6.17 A or (resid 80 and name HZ) (resid 74 and name HN) ! 0.1215 707:10 ----- 4.85, 5.70 A assign (resid 88 and name HN) (resid 87 and name HN) 2.65 0.85 0.85 ! 0.9317 708:10 Seq 2.28, 2.51 A assign (resid 110 and name HN) (resid 111 and name HN) 2.65 0.85 0.85 ! 0.0000 709:10 Seq 2.52, 2.63 A assign (resid 87 and name HN) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.0000 710:10 Seq 2.28, 2.51 A assign (resid 111 and name HN) (resid 110 and name HN) 2.65 0.85 0.85 ! 0.0000 711:10 Seq 2.52, 2.63 A assign (resid 49 and name HN) (resid 48 and name HN) 2.30 0.50 0.50 ! 0.0000 712:10 Seq 2.33, 2.40 A assign (resid 87 and name HN) (resid 86 and name HN) 2.65 0.85 0.85 ! 0.0000 713:10 Seq 2.39, 2.50 A assign (resid 86 and name HD1) (resid 86 and name HN) 2.65 0.85 0.85 ! 0.8822 714:10 Ambig 2.96, 3.07 A or (resid 86 and name HE3) (resid 86 and name HN) ! 0.1107 714:10 ----- 4.18, 4.33 A assign (resid 115 and name HD*) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.7869 715:10 Ambig 5.28, 7.30 A or (resid 70 and name HD*) (resid 112 and name HN) ! 0.1780 715:10 ----- 6.77, 8.21 A assign (resid 114 and name HN) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.0000 716:10 Mid 3.85, 3.98 A assign (resid 115 and name HE*) (resid 112 and name HN) 4.15 2.35 2.35 ! 0.4881 717:10 Ambig 6.79, 8.66 A or (resid 70 and name HZ) (resid 112 and name HN) ! 0.3780 717:10 ----- 7.09, 7.21 A or (resid 79 and name HE*) (resid 112 and name HN) ! 0.1339 717:10 ----- 8.43, 9.02 A assign (resid 41 and name HD*) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.9901 718:10 Long 3.67, 5.96 A assign (resid 42 and name HD2) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.7947 719:10 Ambig 4.06, 4.45 A or (resid 41 and name HE*) (resid 34 and name HN) ! 0.1274 719:10 ----- 5.51, 7.62 A assign (resid 79 and name HD*) (resid 103 and name HN) 3.65 1.85 1.85 ! 0.9481 720:10 Long 4.85, 5.93 A assign (resid 37 and name HD22) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.0000 721:10 Intra 3.68, 4.44 A assign (resid 119 and name HN) (resid 118 and name HN) 2.65 0.85 0.85 ! 0.9975 722:10 Seq 2.49, 2.57 A assign (resid 107 and name HN) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.0000 723:10 Seq 2.34, 2.48 A assign (resid 79 and name HD*) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.6345 724:10 Ambig 4.56, 5.95 A or (resid 79 and name HE*) (resid 108 and name HN) ! 0.3225 724:10 ----- 5.11, 6.35 A assign (resid 86 and name HN) (resid 87 and name HN) 2.65 0.85 0.85 ! 0.0000 725:10 Seq 2.39, 2.50 A assign (resid 48 and name HN) (resid 49 and name HN) 2.30 0.50 0.50 ! 0.9889 726:10 Seq 2.33, 2.40 A assign (resid 33 and name HA) (resid 34 and name HN) 2.30 0.50 0.50 ! 0.0000 727:10 Seq 1.99, 2.09 A assign (resid 102 and name HA) (resid 103 and name HN) 2.30 0.50 0.50 ! 0.9689 728:10 Seq 2.05, 2.14 A assign (resid 78 and name HA) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.6623 729:10 Ambig 4.20, 4.49 A or (resid 79 and name HA) (resid 103 and name HN) ! 0.3316 729:10 ----- 4.71, 4.80 A assign (resid 14 and name HA) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.9967 730:10 Intra 2.82, 2.88 A assign (resid 23 and name HB) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.9973 732:10 Mid 3.38, 3.51 A assign (resid 115 and name HA) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.0000 733:10 Long 6.28, 6.44 A assign (resid 14 and name HA) (resid 13 and name HN) 4.15 2.35 2.35 ! 0.0000 735:10 Seq 4.89, 5.05 A assign (resid 23 and name HA) (resid 24 and name HN) 2.65 0.85 0.85 ! 0.0000 736:10 Seq 2.46, 2.56 A assign (resid 23 and name HB) (resid 24 and name HN) 2.65 0.85 0.85 ! 0.9999 737:10 Seq 1.95, 2.09 A assign (resid 115 and name HA) (resid 48 and name HN) 4.15 2.35 2.35 ! 0.0000 739:10 Long 5.65, 5.82 A assign (resid 110 and name HA) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.6168 740:10 Ambig 4.44, 4.57 A or (resid 113 and name HA) (resid 112 and name HN) ! 0.2195 740:10 ----- 5.27, 5.35 A or (resid 116 and name HA) (resid 112 and name HN) ! 0.1344 740:10 ----- 5.72, 5.86 A assign (resid 111 and name HA) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.9865 741:10 Seq 3.52, 3.54 A assign (resid 99 and name HA) (resid 100 and name HN) 2.65 0.85 0.85 ! 0.9990 743:10 Seq 1.98, 2.08 A assign (resid 103 and name HA) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.0000 744:10 Intra 2.88, 2.90 A assign (resid 36 and name HA) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.9490 745:10 Seq 2.38, 2.44 A assign (resid 37 and name HA) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.7790 746:10 Ambig 2.76, 2.83 A or (resid 15 and name HA) (resid 37 and name HN) ! 0.1487 746:10 ----- 3.63, 4.08 A assign (resid 18 and name HA) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.9178 747:10 Long 3.70, 3.93 A assign (resid 87 and name HA) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.7644 748:10 Ambig 3.22, 3.42 A or (resid 86 and name HA) (resid 90 and name HN) ! 0.2237 748:10 ----- 3.95, 3.99 A assign (resid 27 and name HA) (resid 28 and name HN) 3.15 1.35 1.35 ! 0.7790 749:10 Ambig 3.51, 3.54 A or (resid 26 and name HA) (resid 28 and name HN) ! 0.2210 749:10 ----- 4.33, 4.46 A assign (resid 4 and name HA) (resid 5 and name HN) 2.30 0.50 0.50 ! 0.7389 750:10 Ambig 1.96, 2.99 A or (resid 139 and name HA) (resid 139 and name HN) ! 0.0867 750:10 ----- 2.80, 2.88 A or (resid 2 and name HA) (resid 5 and name HN) ! 0.0605 750:10 ----- 2.97, 6.83 A or (resid 136 and name HA) (resid 139 and name HN) ! 0.0482 750:10 ----- 3.08, 3.54 A assign (resid 90 and name HA) (resid 90 and name HN) 2.65 0.85 0.85 ! 0.9464 751:10 Intra 2.78, 2.79 A assign (resid 97 and name HA) (resid 98 and name HN) 2.30 0.50 0.50 ! 0.8402 752:10 Ambig 2.18, 2.35 A or (resid 118 and name HA) (resid 118 and name HN) ! 0.1529 752:10 ----- 2.89, 2.91 A assign (resid 98 and name HA) (resid 98 and name HN) 2.65 0.85 0.85 ! 0.9869 753:10 Intra 2.86, 2.89 A assign (resid 116 and name HA) (resid 118 and name HN) 3.15 1.35 1.35 ! 0.4309 754:10 Ambig 3.97, 4.05 A or (resid 117 and name HB2) (resid 118 and name HN) ! 0.3794 754:10 ----- 4.05, 4.18 A or (resid 92 and name HB2) (resid 98 and name HN) ! 0.1802 754:10 ----- 4.59, 6.44 A assign (resid 11 and name HA) (resid 12 and name HN) 2.65 0.85 0.85 ! 0.0000 756:10 Seq 3.35, 3.47 A assign (resid 136 and name HA) (resid 140 and name HN) 2.30 0.50 0.50 ! 0.5361 757:10 Ambig 2.36, 3.37 A or (resid 137 and name HA) (resid 140 and name HN) ! 0.2302 757:10 ----- 2.72, 3.89 A or (resid 140 and name HA) (resid 140 and name HN) ! 0.1795 757:10 ----- 2.83, 2.90 A assign (resid 74 and name HA) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.9691 760:10 Intra 2.70, 2.79 A assign (resid 74 and name HB2) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.9972 761:10 Intra 2.42, 2.96 A assign (resid 107 and name HA) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.9931 762:10 Seq 3.45, 3.48 A assign (resid 105 and name HA) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.9918 763:10 Mid 3.24, 3.35 A assign (resid 106 and name HA) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.9437 764:10 Mid 4.26, 4.39 A assign (resid 87 and name HA) (resid 87 and name HN) 2.65 0.85 0.85 ! 0.7477 765:10 Ambig 2.83, 2.85 A or (resid 86 and name HA) (resid 87 and name HN) ! 0.2496 765:10 ----- 3.40, 3.51 A assign (resid 47 and name HA) (resid 49 and name HN) 3.65 1.85 1.85 ! 0.9929 766:10 Mid 3.97, 4.17 A assign (resid 84 and name HA) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.5406 767:10 Ambig 4.28, 4.54 A or (resid 83 and name HA1) (resid 87 and name HN) ! 0.4183 767:10 ----- 4.47, 4.70 A assign (resid 48 and name HA) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.9486 768:10 Seq 3.37, 3.41 A assign (resid 85 and name HA) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.5064 769:10 Ambig 3.77, 4.14 A or (resid 64 and name HA) (resid 87 and name HN) ! 0.4842 769:10 ----- 3.80, 3.95 A assign (resid 39 and name HA) (resid 40 and name HN) 2.65 0.85 0.85 ! 0.9946 770:10 Seq 2.98, 3.10 A assign (resid 10 and name HA) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.0000 772:10 Mid 3.03, 3.41 A assign (resid 110 and name HA) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.9519 773:10 Seq 3.49, 3.51 A assign (resid 87 and name HA) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.7709 774:10 Ambig 3.45, 3.48 A or (resid 86 and name HA) (resid 88 and name HN) ! 0.2182 774:10 ----- 4.26, 4.34 A assign (resid 83 and name HA1) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.5561 775:10 Ambig 4.65, 5.10 A or (resid 84 and name HA) (resid 88 and name HN) ! 0.3370 775:10 ----- 5.05, 5.38 A or (resid 92 and name HB1) (resid 88 and name HN) ! 0.0511 775:10 ----- 6.92, 7.74 A assign (resid 89 and name HA) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.9759 776:10 Seq 5.13, 5.19 A assign (resid 118 and name HA) (resid 119 and name HN) 2.65 0.85 0.85 ! 0.9927 777:10 Seq 3.21, 3.26 A assign (resid 67 and name HA) (resid 119 and name HN) 3.65 1.85 1.85 ! 0.9730 778:10 Long 5.11, 5.24 A assign (resid 107 and name HA) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.9961 779:10 Mid 3.24, 3.42 A assign (resid 111 and name HA) (resid 110 and name HN) 3.65 1.85 1.85 ! 0.7870 780:10 Ambig 5.16, 5.25 A or (resid 105 and name HA) (resid 110 and name HN) ! 0.2130 780:10 ----- 6.42, 6.60 A assign (resid 110 and name HA) (resid 110 and name HN) 2.65 0.85 0.85 ! 0.8851 781:10 Ambig 2.80, 2.83 A or (resid 106 and name HA) (resid 110 and name HN) ! 0.1115 781:10 ----- 3.95, 4.22 A assign (resid 47 and name HA) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.0000 783:10 Seq 3.48, 3.50 A assign (resid 48 and name HA) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.9330 784:10 Intra 2.82, 2.85 A assign (resid 86 and name HA) (resid 86 and name HN) 2.65 0.85 0.85 ! 0.9722 785:10 Intra 2.80, 2.83 A assign (resid 84 and name HA) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.9435 786:10 Mid 3.91, 4.20 A assign (resid 85 and name HA) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.8874 787:10 Ambig 3.35, 3.43 A or (resid 64 and name HA) (resid 86 and name HN) ! 0.1037 787:10 ----- 4.79, 5.06 A assign (resid 112 and name HA) (resid 112 and name HN) 2.65 0.85 0.85 ! 0.6281 788:10 Ambig 2.77, 2.80 A or (resid 109 and name HA) (resid 112 and name HN) ! 0.3719 788:10 ----- 3.03, 3.25 A assign (resid 100 and name HB2) (resid 100 and name HN) 2.65 0.85 0.85 ! 0.6389 789:10 Ambig 2.33, 3.06 A or (resid 100 and name HB1) (resid 100 and name HN) ! 0.3609 789:10 ----- 2.57, 3.03 A assign (resid 67 and name HD*) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.0000 790:10 Long 5.54, 6.34 A assign (resid 38 and name HB1) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.6450 791:10 Ambig 4.87, 5.12 A or (resid 18 and name HD1) (resid 37 and name HN) ! 0.2618 791:10 ----- 5.66, 5.87 A assign (resid 142 and name HB2) (resid 143 and name HN) 3.65 1.85 1.85 ! 0.6050 792:10 Ambig 2.10, 3.65 A or (resid 143 and name HB2) (resid 143 and name HN) ! 0.3162 792:10 ----- 2.33, 2.69 A assign (resid 24 and name HA) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.0000 793:10 Mid 3.96, 4.16 A assign (resid 86 and name HB1) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.4212 794:10 Ambig 4.94, 5.04 A or (resid 87 and name HB1) (resid 90 and name HN) ! 0.3215 794:10 ----- 5.17, 5.27 A or (resid 86 and name HB2) (resid 90 and name HN) ! 0.2572 794:10 ----- 5.37, 5.51 A assign (resid 93 and name HA) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.0000 795:10 Seq 3.50, 3.54 A assign (resid 91 and name HA) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.9707 796:10 Mid 3.22, 3.39 A assign (resid 115 and name HB1) (resid 118 and name HN) 3.15 1.35 1.35 ! 0.0000 797:10 Mid 3.23, 3.36 A assign (resid 13 and name HA) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.7938 798:10 Ambig 3.46, 3.51 A or (resid 15 and name HB*) (resid 14 and name HN) ! 0.1794 798:10 ----- 4.43, 5.45 A assign (resid 14 and name HB2) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.9997 799:10 Intra 2.29, 2.35 A assign (resid 25 and name HA) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.9579 800:10 Seq 3.47, 3.54 A assign (resid 74 and name HB1) (resid 74 and name HN) 2.65 0.85 0.85 ! 0.9851 801:10 Intra 2.55, 3.16 A assign (resid 73 and name HB*) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.0000 802:10 Seq 3.45, 3.89 A assign (resid 109 and name HA) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.0000 803:10 Seq 5.14, 5.23 A assign (resid 49 and name HA) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.9973 804:10 Intra 2.85, 2.87 A assign (resid 86 and name HB2) (resid 87 and name HN) 2.30 0.50 0.50 ! 0.7998 805:10 Ambig 2.59, 2.76 A or (resid 87 and name HB1) (resid 87 and name HN) ! 0.1190 805:10 ----- 3.55, 3.61 A assign (resid 40 and name HB2) (resid 40 and name HN) 2.30 0.50 0.50 ! 0.9821 806:10 Intra 2.25, 2.31 A assign (resid 13 and name HA) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.8757 807:10 Ambig 2.80, 2.87 A or (resid 9 and name HA2) (resid 13 and name HN) ! 0.0706 807:10 ----- 4.25, 6.54 A assign (resid 109 and name HA) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.7889 808:10 Ambig 4.23, 4.39 A or (resid 112 and name HA) (resid 111 and name HN) ! 0.2111 808:10 ----- 5.26, 5.31 A assign (resid 14 and name HB2) (resid 13 and name HN) 4.15 2.35 2.35 ! 0.0000 809:10 Seq 4.25, 4.51 A assign (resid 88 and name HA) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.9869 810:10 Intra 2.82, 2.84 A assign (resid 87 and name HB1) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.9042 811:10 Seq 3.19, 3.44 A assign (resid 25 and name HA) (resid 24 and name HN) 3.65 1.85 1.85 ! 0.8308 812:10 Ambig 4.84, 5.04 A or (resid 62 and name HB2) (resid 24 and name HN) ! 0.1406 812:10 ----- 6.51, 6.66 A assign (resid 61 and name HB1) (resid 24 and name HN) 3.65 1.85 1.85 ! 0.9632 813:10 Long 4.19, 4.46 A assign (resid 24 and name HA) (resid 24 and name HN) 3.15 1.35 1.35 ! 0.9978 814:10 Intra 2.80, 2.84 A assign (resid 109 and name HA) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.0000 815:10 Seq 3.49, 3.52 A assign (resid 46 and name HA) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.0000 817:10 Mid 4.03, 4.11 A assign (resid 86 and name HB2) (resid 86 and name HN) 2.30 0.50 0.50 ! 0.9936 818:10 Intra 2.56, 2.62 A assign (resid 108 and name HA) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.9670 819:10 Mid 3.75, 3.93 A assign (resid 42 and name HB*) (resid 34 and name HN) 3.15 1.35 1.35 ! 0.9863 820:10 Long 3.59, 4.60 A assign (resid 41 and name HB1) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.9893 821:10 Long 4.08, 4.25 A assign (resid 33 and name HE*) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.5879 822:10 Ambig 5.40, 6.14 A or (resid 41 and name HB2) (resid 34 and name HN) ! 0.3951 822:10 ----- 5.77, 5.93 A assign (resid 101 and name HB1) (resid 103 and name HN) 3.65 1.85 1.85 ! 0.3804 823:10 Ambig 6.03, 6.58 A or (resid 107 and name HB1) (resid 103 and name HN) ! 0.2730 823:10 ----- 6.37, 6.56 A or (resid 108 and name HA) (resid 103 and name HN) ! 0.1113 823:10 ----- 7.40, 7.60 A or (resid 70 and name HB2) (resid 103 and name HN) ! 0.0875 823:10 ----- 7.70, 7.88 A or (resid 105 and name HB*) (resid 103 and name HN) ! 0.0782 823:10 ----- 7.84, 8.43 A assign (resid 79 and name HB2) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.8442 824:10 Ambig 3.33, 3.56 A or (resid 79 and name HB1) (resid 103 and name HN) ! 0.1558 824:10 ----- 4.42, 4.67 A assign (resid 37 and name HB2) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.5258 825:10 Ambig 2.17, 2.40 A or (resid 37 and name HB1) (resid 37 and name HN) ! 0.4719 825:10 ----- 2.20, 3.23 A assign (resid 29 and name HB1) (resid 28 and name HN) 3.15 1.35 1.35 ! 0.5203 826:10 Ambig 4.30, 4.65 A or (resid 46 and name HE2) (resid 28 and name HN) ! 0.2922 826:10 ----- 4.74, 5.41 A or (resid 26 and name HB1) (resid 28 and name HN) ! 0.1616 826:10 ----- 5.23, 5.45 A assign (resid 87 and name HB2) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.9325 827:10 Mid 5.32, 5.43 A assign (resid 138 and name HG1) (resid 139 and name HN) 3.65 1.85 1.85 ! 0.0000 828:10 Seq 2.41, 3.57 A assign (resid 138 and name HG2) (resid 139 and name HN) 3.65 1.85 1.85 ! 0.0000 829:10 Seq 2.63, 4.09 A assign (resid 97 and name HD*) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.8177 830:10 Ambig 3.07, 4.91 A or (resid 115 and name HB2) (resid 118 and name HN) ! 0.1781 830:10 ----- 3.95, 4.10 A assign (resid 14 and name HB1) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.8938 831:10 Ambig 3.56, 3.59 A or (resid 11 and name HE*) (resid 14 and name HN) ! 0.1027 831:10 ----- 5.11, 7.70 A assign (resid 12 and name HB2) (resid 12 and name HN) 2.65 0.85 0.85 ! 0.9849 833:10 Intra 2.40, 2.51 A assign (resid 26 and name HB1) (resid 26 and name HN) 2.65 0.85 0.85 ! 0.7833 834:10 Ambig 3.55, 3.61 A or (resid 29 and name HB1) (resid 26 and name HN) ! 0.1766 834:10 ----- 4.55, 4.93 A assign (resid 26 and name HB2) (resid 26 and name HN) 2.65 0.85 0.85 ! 0.9926 835:10 Intra 2.25, 2.35 A assign (resid 108 and name HA) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.7272 836:10 Ambig 2.81, 2.82 A or (resid 107 and name HB1) (resid 108 and name HN) ! 0.2493 836:10 ----- 3.36, 3.54 A assign (resid 107 and name HB2) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.0000 837:10 Seq 2.36, 2.58 A assign (resid 87 and name HB2) (resid 87 and name HN) 2.65 0.85 0.85 ! 0.9993 838:10 Intra 2.27, 2.39 A assign (resid 48 and name HG1) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.7557 839:10 Ambig 4.21, 4.34 A or (resid 47 and name HB1) (resid 49 and name HN) ! 0.2176 839:10 ----- 5.18, 5.34 A assign (resid 48 and name HG2) (resid 49 and name HN) 3.65 1.85 1.85 ! 0.8356 840:10 Ambig 4.09, 4.88 A or (resid 50 and name HG2) (resid 49 and name HN) ! 0.1644 840:10 ----- 5.36, 5.50 A assign (resid 138 and name HG1) (resid 138 and name HN) 3.15 1.35 1.35 ! 0.0000 841:10 Intra 2.15, 4.00 A assign (resid 108 and name HA) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.9260 842:10 Mid 3.18, 3.33 A assign (resid 14 and name HB1) (resid 13 and name HN) 4.15 2.35 2.35 ! 0.0000 843:10 Seq 5.71, 5.95 A assign (resid 12 and name HB2) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.9953 844:10 Seq 2.49, 2.94 A assign (resid 88 and name HE1) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.7531 845:10 Ambig 4.14, 4.37 A or (resid 88 and name HE2) (resid 88 and name HN) ! 0.2382 845:10 ----- 5.02, 5.17 A assign (resid 87 and name HB2) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.9986 846:10 Seq 2.46, 2.55 A assign (resid 61 and name HB2) (resid 24 and name HN) 3.65 1.85 1.85 ! 0.4761 847:10 Ambig 5.42, 5.65 A or (resid 25 and name HE*) (resid 24 and name HN) ! 0.3626 847:10 ----- 5.68, 8.09 A or (resid 26 and name HB1) (resid 24 and name HN) ! 0.1612 847:10 ----- 6.50, 6.72 A assign (resid 115 and name HB2) (resid 119 and name HN) 3.65 1.85 1.85 ! 0.6682 848:10 Ambig 4.98, 5.17 A or (resid 120 and name HB2) (resid 119 and name HN) ! 0.2435 848:10 ----- 5.89, 5.99 A assign (resid 108 and name HA) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.7511 849:10 Ambig 4.18, 4.30 A or (resid 107 and name HB1) (resid 110 and name HN) ! 0.2255 849:10 ----- 5.10, 5.30 A assign (resid 48 and name HG1) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.9321 850:10 Intra 2.16, 2.33 A assign (resid 48 and name HG2) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.9992 851:10 Intra 2.01, 3.19 A assign (resid 84 and name HB*) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.0000 852:10 Mid 2.45, 2.82 A assign (resid 84 and name HG*) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.0000 853:10 Mid 4.51, 5.09 A assign (resid 111 and name HB1) (resid 112 and name HN) 2.65 0.85 0.85 ! 0.6307 854:10 Ambig 3.51, 3.60 A or (resid 111 and name HG) (resid 112 and name HN) ! 0.1755 854:10 ----- 4.34, 4.45 A or (resid 110 and name HB*) (resid 112 and name HN) ! 0.1119 854:10 ----- 4.68, 5.26 A assign (resid 112 and name HB2) (resid 112 and name HN) 2.30 0.50 0.50 ! 0.9845 855:10 Intra 2.40, 2.45 A assign (resid 99 and name HB) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.3883 856:10 Ambig 4.40, 4.45 A or (resid 98 and name HB2) (resid 100 and name HN) ! 0.3458 856:10 ----- 4.49, 5.04 A or (resid 102 and name HB) (resid 100 and name HN) ! 0.1245 856:10 ----- 5.32, 6.45 A or (resid 81 and name HB) (resid 100 and name HN) ! 0.0668 856:10 ----- 5.90, 6.35 A assign (resid 34 and name HG11) (resid 34 and name HN) 2.30 0.50 0.50 ! 0.9808 857:10 Intra 2.06, 2.13 A assign (resid 102 and name HB) (resid 103 and name HN) 2.30 0.50 0.50 ! 0.9481 858:10 Seq 2.24, 2.57 A assign (resid 36 and name HB1) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.0000 859:10 Seq 2.35, 2.45 A assign (resid 36 and name HG) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.0000 860:10 Seq 4.85, 4.92 A assign (resid 89 and name HB1) (resid 90 and name HN) 2.30 0.50 0.50 ! 0.9167 861:10 Seq 2.47, 2.66 A assign (resid 138 and name HB*) (resid 139 and name HN) 2.65 0.85 0.85 ! 0.9835 862:10 Seq 2.29, 3.39 A assign (resid 4 and name HB1) (resid 5 and name HN) 2.30 0.50 0.50 ! 0.6986 863:10 Ambig 1.84, 3.31 A or (resid 139 and name HB1) (resid 139 and name HN) ! 0.2878 863:10 ----- 2.14, 2.36 A or (resid 4 and name HB2) (resid 5 and name HN) ! 0.0000 863:10 ----- 0.00, 0.00 A or (resid 139 and name HG) (resid 139 and name HN) ! 0.0000 863:10 ----- 0.00, 0.00 A assign (resid 90 and name HB*) (resid 90 and name HN) 2.30 0.50 0.50 ! 0.9683 864:10 Intra 2.48, 2.88 A assign (resid 5 and name HG11) (resid 5 and name HN) 2.65 0.85 0.85 ! 0.8004 865:10 Ambig 1.93, 3.80 A or (resid 139 and name HB2) (resid 139 and name HN) ! 0.1996 865:10 ----- 2.44, 2.52 A assign (resid 98 and name HG2) (resid 98 and name HN) 2.65 0.85 0.85 ! 0.5889 866:10 Ambig 1.96, 3.22 A or (resid 98 and name HG1) (resid 98 and name HN) ! 0.4061 866:10 ----- 2.09, 3.03 A assign (resid 93 and name HB) (resid 94 and name HN) 2.30 0.50 0.50 ! 0.8205 867:10 Ambig 2.57, 2.73 A or (resid 94 and name HB1) (resid 94 and name HN) ! 0.1137 867:10 ----- 3.57, 3.58 A assign (resid 98 and name HB2) (resid 98 and name HN) 2.30 0.50 0.50 ! 0.4079 868:10 Ambig 2.34, 2.94 A or (resid 118 and name HG) (resid 118 and name HN) ! 0.3776 868:10 ----- 2.37, 2.44 A or (resid 98 and name HB1) (resid 98 and name HN) ! 0.2063 868:10 ----- 2.62, 3.34 A assign (resid 97 and name HB*) (resid 98 and name HN) 2.30 0.50 0.50 ! 0.6836 869:10 Ambig 2.25, 3.17 A or (resid 118 and name HB2) (resid 118 and name HN) ! 0.3120 869:10 ----- 2.56, 2.65 A assign (resid 11 and name HB*) (resid 12 and name HN) 2.65 0.85 0.85 ! 0.9365 870:10 Seq 2.45, 3.59 A assign (resid 11 and name HD*) (resid 12 and name HN) 3.15 1.35 1.35 ! 0.9735 871:10 Seq 2.25, 5.29 A assign (resid 140 and name HB*) (resid 140 and name HN) 2.30 0.50 0.50 ! 0.9777 872:10 Intra 2.17, 2.75 A assign (resid 139 and name HB2) (resid 140 and name HN) 2.65 0.85 0.85 ! 0.9119 873:10 Seq 2.29, 2.47 A assign (resid 103 and name HB) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.4758 874:10 Ambig 4.03, 4.33 A or (resid 109 and name HB*) (resid 108 and name HN) ! 0.2174 874:10 ----- 4.59, 5.47 A or (resid 111 and name HG) (resid 108 and name HN) ! 0.1472 874:10 ----- 4.90, 5.07 A or (resid 110 and name HB*) (resid 108 and name HN) ! 0.1243 874:10 ----- 5.04, 6.06 A assign (resid 108 and name HB) (resid 108 and name HN) 2.30 0.50 0.50 ! 0.9784 875:10 Intra 2.51, 2.55 A assign (resid 48 and name HB2) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.8453 876:10 Ambig 2.85, 3.05 A or (resid 50 and name HG1) (resid 49 and name HN) ! 0.1540 876:10 ----- 3.79, 4.04 A assign (resid 49 and name HB) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.9662 877:10 Intra 2.49, 2.54 A assign (resid 85 and name HG1) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.3921 878:10 Ambig 4.85, 5.05 A or (resid 90 and name HB*) (resid 87 and name HN) ! 0.2762 878:10 ----- 5.14, 5.77 A or (resid 85 and name HB2) (resid 87 and name HN) ! 0.2353 878:10 ----- 5.28, 5.63 A assign (resid 51 and name HG*) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.5785 879:10 Ambig 4.25, 4.90 A or (resid 52 and name HB2) (resid 49 and name HN) ! 0.2132 879:10 ----- 5.02, 5.17 A or (resid 45 and name HB2) (resid 49 and name HN) ! 0.2021 879:10 ----- 5.06, 5.19 A assign (resid 138 and name HB*) (resid 138 and name HN) 2.30 0.50 0.50 ! 0.8770 880:10 Ambig 2.38, 2.82 A or (resid 137 and name HB1) (resid 138 and name HN) ! 0.1152 880:10 ----- 3.34, 3.91 A assign (resid 110 and name HB*) (resid 111 and name HN) 2.30 0.50 0.50 ! 0.5091 881:10 Ambig 2.17, 2.91 A or (resid 111 and name HG) (resid 111 and name HN) ! 0.4588 881:10 ----- 2.21, 2.35 A assign (resid 110 and name HD*) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.5650 882:10 Ambig 4.27, 5.20 A or (resid 112 and name HB2) (resid 111 and name HN) ! 0.3031 882:10 ----- 4.73, 4.80 A or (resid 108 and name HB) (resid 111 and name HN) ! 0.1259 882:10 ----- 5.48, 5.56 A assign (resid 13 and name HB) (resid 13 and name HN) 2.30 0.50 0.50 ! 0.9929 883:10 Intra 2.44, 2.52 A assign (resid 88 and name HB2) (resid 88 and name HN) 2.30 0.50 0.50 ! 0.8924 884:10 Ambig 2.40, 2.45 A or (resid 88 and name HB1) (resid 88 and name HN) ! 0.0863 884:10 ----- 3.55, 3.57 A assign (resid 88 and name HD1) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.3610 885:10 Ambig 4.63, 4.72 A or (resid 90 and name HB*) (resid 88 and name HN) ! 0.2653 885:10 ----- 4.87, 5.74 A or (resid 85 and name HB2) (resid 88 and name HN) ! 0.2126 885:10 ----- 5.05, 5.27 A or (resid 85 and name HG1) (resid 88 and name HN) ! 0.1241 885:10 ----- 5.53, 5.73 A assign (resid 24 and name HB) (resid 24 and name HN) 2.65 0.85 0.85 ! 0.9967 886:10 Intra 2.33, 2.45 A assign (resid 24 and name HG11) (resid 24 and name HN) 2.30 0.50 0.50 ! 0.9908 887:10 Intra 2.01, 2.09 A assign (resid 119 and name HB) (resid 119 and name HN) 2.30 0.50 0.50 ! 0.9129 888:10 Intra 2.64, 2.70 A assign (resid 109 and name HB*) (resid 110 and name HN) 2.30 0.50 0.50 ! 0.5171 889:10 Ambig 2.37, 3.21 A or (resid 110 and name HB*) (resid 110 and name HN) ! 0.4658 889:10 ----- 2.41, 3.08 A assign (resid 48 and name HB2) (resid 48 and name HN) 2.30 0.50 0.50 ! 0.8779 890:10 Ambig 2.50, 2.54 A or (resid 48 and name HB1) (resid 48 and name HN) ! 0.1065 890:10 ----- 3.56, 3.62 A assign (resid 45 and name HB2) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.7587 891:10 Ambig 3.47, 3.62 A or (resid 51 and name HG*) (resid 48 and name HN) ! 0.2249 891:10 ----- 4.24, 5.11 A assign (resid 85 and name HG1) (resid 86 and name HN) 2.65 0.85 0.85 ! 0.9299 892:10 Seq 2.45, 2.74 A assign (resid 111 and name HB2) (resid 112 and name HN) 2.65 0.85 0.85 ! 0.8810 893:10 Ambig 2.56, 2.64 A or (resid 112 and name HB1) (resid 112 and name HN) ! 0.1162 893:10 ----- 3.59, 3.61 A assign (resid 119 and name HD1*) (resid 112 and name HN) 2.65 0.85 0.85 ! 0.4024 894:10 Ambig 3.55, 4.10 A or (resid 112 and name HD2*) (resid 112 and name HN) ! 0.3314 894:10 ----- 3.66, 4.38 A or (resid 112 and name HD1*) (resid 112 and name HN) ! 0.2206 894:10 ----- 3.92, 4.53 A assign (resid 99 and name HG2*) (resid 100 and name HN) 2.65 0.85 0.85 ! 0.8899 895:10 Ambig 3.20, 3.98 A or (resid 99 and name HD1*) (resid 100 and name HN) ! 0.1101 895:10 ----- 4.54, 5.70 A assign (resid 33 and name HG1) (resid 34 and name HN) 2.65 0.85 0.85 ! 0.5924 896:10 Ambig 2.88, 3.41 A or (resid 33 and name HG2) (resid 34 and name HN) ! 0.2540 896:10 ----- 3.32, 3.59 A or (resid 34 and name HG12) (resid 34 and name HN) ! 0.1415 896:10 ----- 3.66, 3.73 A assign (resid 99 and name HG1*) (resid 103 and name HN) 4.15 2.35 2.35 ! 0.8407 897:10 Ambig 4.81, 5.52 A or (resid 91 and name HG11) (resid 103 and name HN) ! 0.0681 897:10 ----- 7.31, 7.51 A assign (resid 103 and name HG12) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.9972 898:10 Intra 2.29, 2.42 A assign (resid 81 and name HG2*) (resid 103 and name HN) 2.65 0.85 0.85 ! 0.5482 899:10 Ambig 3.06, 4.05 A or (resid 102 and name HG1*) (resid 103 and name HN) ! 0.2680 899:10 ----- 3.44, 4.26 A or (resid 102 and name HG2*) (resid 103 and name HN) ! 0.1288 899:10 ----- 3.89, 4.64 A assign (resid 36 and name HB2) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.9647 900:10 Seq 3.36, 3.46 A assign (resid 19 and name HB*) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.9452 901:10 Long 2.97, 4.20 A assign (resid 35 and name HG*) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.8521 902:10 Ambig 5.01, 5.92 A or (resid 18 and name HG2) (resid 37 and name HN) ! 0.1479 902:10 ----- 6.70, 7.26 A assign (resid 28 and name HB2) (resid 28 and name HN) 2.30 0.50 0.50 ! 0.5943 903:10 Ambig 2.41, 2.46 A or (resid 27 and name HB*) (resid 28 and name HN) ! 0.4013 903:10 ----- 2.57, 3.48 A assign (resid 5 and name HD1*) (resid 5 and name HN) 2.30 0.50 0.50 ! 0.5704 904:10 Ambig 2.79, 4.20 A or (resid 139 and name HD2*) (resid 139 and name HN) ! 0.3527 904:10 ----- 3.03, 4.13 A assign (resid 49 and name HG1*) (resid 28 and name HN) 2.65 0.85 0.85 ! 0.9277 905:10 Long 2.91, 4.08 A assign (resid 93 and name HG2*) (resid 94 and name HN) 2.65 0.85 0.85 ! 0.9910 906:10 Seq 3.44, 4.36 A assign (resid 94 and name HD2*) (resid 94 and name HN) 2.65 0.85 0.85 ! 0.7983 907:10 Ambig 3.39, 4.18 A or (resid 93 and name HD1*) (resid 94 and name HN) ! 0.0762 907:10 ----- 5.01, 5.76 A or (resid 91 and name HG2*) (resid 94 and name HN) ! 0.0547 907:10 ----- 5.29, 5.93 A assign (resid 94 and name HG) (resid 94 and name HN) 2.65 0.85 0.85 ! 0.7057 908:10 Ambig 2.13, 2.22 A or (resid 94 and name HB2) (resid 94 and name HN) ! 0.2856 908:10 ----- 2.48, 2.50 A assign (resid 119 and name HG11) (resid 118 and name HN) 3.15 1.35 1.35 ! 0.9973 909:10 Seq 3.25, 3.59 A assign (resid 118 and name HD2*) (resid 118 and name HN) 2.30 0.50 0.50 ! 0.8380 910:10 Ambig 2.99, 3.85 A or (resid 118 and name HD1*) (resid 118 and name HN) ! 0.0926 910:10 ----- 4.32, 4.73 A assign (resid 27 and name HB*) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.4039 911:10 Ambig 4.71, 5.39 A or (resid 28 and name HB2) (resid 26 and name HN) ! 0.2580 911:10 ----- 5.07, 5.23 A or (resid 31 and name HG*) (resid 26 and name HN) ! 0.1994 911:10 ----- 5.29, 6.43 A or (resid 65 and name HD*) (resid 26 and name HN) ! 0.0705 911:10 ----- 6.30, 9.44 A assign (resid 23 and name HG2*) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.9642 912:10 Mid 4.40, 4.83 A assign (resid 139 and name HD1*) (resid 140 and name HN) 3.15 1.35 1.35 ! 0.3268 913:10 Ambig 4.54, 5.46 A or (resid 139 and name HD2*) (resid 140 and name HN) ! 0.2282 913:10 ----- 4.82, 5.65 A or (resid 22 and name HG2*) (resid 26 and name HN) ! 0.2070 913:10 ----- 4.90, 5.85 A or (resid 66 and name HG12) (resid 26 and name HN) ! 0.0966 913:10 ----- 5.56, 5.86 A or (resid 22 and name HG1*) (resid 26 and name HN) ! 0.0549 913:10 ----- 6.11, 6.71 A assign (resid 106 and name HG1*) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.5292 914:10 Ambig 4.69, 5.50 A or (resid 103 and name HG12) (resid 108 and name HN) ! 0.2010 914:10 ----- 5.51, 5.65 A or (resid 106 and name HG2*) (resid 108 and name HN) ! 0.1832 914:10 ----- 5.60, 6.42 A assign (resid 88 and name HG1) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.6524 915:10 Ambig 3.98, 4.15 A or (resid 85 and name HG2) (resid 87 and name HN) ! 0.2047 915:10 ----- 4.83, 5.14 A or (resid 65 and name HB2) (resid 87 and name HN) ! 0.0634 915:10 ----- 5.87, 6.06 A assign (resid 46 and name HG2) (resid 49 and name HN) 3.65 1.85 1.85 ! 0.3972 916:10 Ambig 4.71, 5.11 A or (resid 46 and name HG1) (resid 49 and name HN) ! 0.3750 916:10 ----- 4.75, 4.89 A or (resid 27 and name HB*) (resid 49 and name HN) ! 0.1610 916:10 ----- 5.47, 6.22 A assign (resid 64 and name HG2*) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9501 917:10 Long 3.46, 4.84 A assign (resid 64 and name HG1*) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.8699 918:10 Ambig 3.99, 5.26 A or (resid 63 and name HB2) (resid 87 and name HN) ! 0.0574 918:10 ----- 6.28, 6.49 A assign (resid 49 and name HG2*) (resid 49 and name HN) 2.30 0.50 0.50 ! 0.8699 919:10 Ambig 2.10, 3.06 A or (resid 118 and name HD2*) (resid 49 and name HN) ! 0.0805 919:10 ----- 3.13, 4.68 A assign (resid 36 and name HB2) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.9992 920:10 Mid 2.41, 2.59 A assign (resid 36 and name HD1*) (resid 40 and name HN) 2.65 0.85 0.85 ! 0.9631 921:10 Mid 3.66, 4.65 A assign (resid 111 and name HB2) (resid 111 and name HN) 2.65 0.85 0.85 ! 0.9934 922:10 Intra 2.41, 2.43 A assign (resid 13 and name HG11) (resid 13 and name HN) 2.65 0.85 0.85 ! 0.9992 923:10 Intra 2.05, 2.80 A assign (resid 13 and name HG12) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.0000 924:10 Intra 2.01, 3.04 A assign (resid 111 and name HD2*) (resid 111 and name HN) 2.65 0.85 0.85 ! 0.5079 925:10 Ambig 3.53, 4.30 A or (resid 95 and name HD2*) (resid 111 and name HN) ! 0.4449 925:10 ----- 3.61, 4.72 A assign (resid 8 and name HG2*) (resid 13 and name HN) 4.15 2.35 2.35 ! 0.7087 926:10 Ambig 4.24, 8.83 A or (resid 10 and name HD1*) (resid 13 and name HN) ! 0.1818 926:10 ----- 5.32, 7.23 A or (resid 122 and name HG2*) (resid 13 and name HN) ! 0.1095 926:10 ----- 5.79, 7.26 A assign (resid 111 and name HD1*) (resid 111 and name HN) 2.65 0.85 0.85 ! 0.5981 927:10 Ambig 3.85, 4.43 A or (resid 95 and name HD1*) (resid 111 and name HN) ! 0.4019 927:10 ----- 4.11, 5.77 A assign (resid 88 and name HG1) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.9978 928:10 Intra 2.07, 2.19 A assign (resid 81 and name HG1*) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.9431 929:10 Long 4.17, 4.75 A assign (resid 99 and name HG2*) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.4509 930:10 Ambig 5.10, 6.12 A or (resid 64 and name HG1*) (resid 88 and name HN) ! 0.2956 930:10 ----- 5.48, 6.59 A or (resid 81 and name HG2*) (resid 88 and name HN) ! 0.1255 930:10 ----- 6.32, 7.38 A or (resid 91 and name HG2*) (resid 88 and name HN) ! 0.0526 930:10 ----- 7.30, 7.95 A assign (resid 23 and name HG2*) (resid 24 and name HN) 2.65 0.85 0.85 ! 0.8777 931:10 Ambig 3.84, 4.37 A or (resid 64 and name HG2*) (resid 24 and name HN) ! 0.0880 931:10 ----- 5.64, 6.28 A assign (resid 24 and name HG12) (resid 24 and name HN) 2.65 0.85 0.85 ! 0.7535 932:10 Ambig 3.31, 3.38 A or (resid 64 and name HG1*) (resid 24 and name HN) ! 0.1121 932:10 ----- 4.54, 5.59 A or (resid 22 and name HG2*) (resid 24 and name HN) ! 0.0468 932:10 ----- 5.26, 6.46 A assign (resid 119 and name HG11) (resid 119 and name HN) 3.15 1.35 1.35 ! 0.9972 933:10 Intra 2.94, 3.03 A assign (resid 119 and name HD1*) (resid 119 and name HN) 3.15 1.35 1.35 ! 0.3428 934:10 Ambig 4.64, 5.16 A or (resid 118 and name HD2*) (resid 119 and name HN) ! 0.3011 934:10 ----- 4.74, 5.62 A or (resid 112 and name HD2*) (resid 119 and name HN) ! 0.2198 934:10 ----- 5.00, 5.78 A or (resid 118 and name HD1*) (resid 119 and name HN) ! 0.0723 934:10 ----- 6.02, 6.53 A assign (resid 110 and name HG2) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.8767 935:10 Ambig 3.32, 3.49 A or (resid 111 and name HB2) (resid 110 and name HN) ! 0.1218 935:10 ----- 4.61, 4.71 A assign (resid 45 and name HG*) (resid 48 and name HN) 3.65 1.85 1.85 ! 0.6351 936:10 Ambig 4.75, 5.07 A or (resid 46 and name HG2) (resid 48 and name HN) ! 0.2756 936:10 ----- 5.46, 5.70 A assign (resid 49 and name HG2*) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.5618 937:10 Ambig 3.67, 4.86 A or (resid 118 and name HD2*) (resid 48 and name HN) ! 0.2872 937:10 ----- 4.10, 5.44 A or (resid 118 and name HD1*) (resid 48 and name HN) ! 0.1367 937:10 ----- 4.64, 5.89 A assign (resid 85 and name HG2) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.9837 938:10 Seq 2.41, 2.75 A assign (resid 63 and name HB1) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.5242 939:10 Ambig 4.80, 4.94 A or (resid 64 and name HG2*) (resid 86 and name HN) ! 0.4758 939:10 ----- 4.88, 5.94 A assign (resid 60 and name HD2*) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.4639 940:10 Ambig 5.40, 6.80 A or (resid 63 and name HB2) (resid 86 and name HN) ! 0.2755 940:10 ----- 5.89, 6.00 A or (resid 64 and name HG1*) (resid 86 and name HN) ! 0.2606 940:10 ----- 5.95, 7.20 A assign (resid 108 and name HG1*) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.7750 941:10 Ambig 3.91, 4.74 A or (resid 119 and name HG2*) (resid 112 and name HN) ! 0.2250 941:10 ----- 4.81, 6.04 A assign (resid 108 and name HG2*) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.0000 942:10 Mid 5.90, 6.61 A assign (resid 103 and name HD1*) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.0000 943:10 Intra 4.60, 4.79 A assign (resid 36 and name HD2*) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.0000 944:10 Seq 3.87, 4.62 A assign (resid 28 and name HD2*) (resid 28 and name HN) 2.65 0.85 0.85 ! 0.8527 945:10 Ambig 3.60, 4.35 A or (resid 66 and name HD1*) (resid 28 and name HN) ! 0.1307 945:10 ----- 4.92, 6.03 A assign (resid 91 and name HD1*) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.9381 946:10 Seq 5.39, 6.21 A assign (resid 94 and name HD1*) (resid 94 and name HN) 2.65 0.85 0.85 ! 0.9490 948:10 Intra 3.83, 4.37 A assign (resid 66 and name HD1*) (resid 26 and name HN) 3.65 1.85 1.85 ! 0.8596 949:10 Ambig 5.56, 6.74 A or (resid 28 and name HD2*) (resid 26 and name HN) ! 0.1404 949:10 ----- 7.53, 8.05 A assign (resid 28 and name HD1*) (resid 26 and name HN) 3.65 1.85 1.85 ! 0.4649 950:10 Ambig 5.47, 6.68 A or (resid 24 and name HG2*) (resid 26 and name HN) ! 0.4626 950:10 ----- 5.48, 6.33 A assign (resid 108 and name HG1*) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.9608 951:10 Intra 4.43, 4.56 A assign (resid 108 and name HG2*) (resid 108 and name HN) 2.30 0.50 0.50 ! 0.0000 952:10 Intra 2.05, 3.02 A assign (resid 91 and name HD1*) (resid 87 and name HN) 4.15 2.35 2.35 ! 0.5243 953:10 Ambig 7.61, 8.30 A or (resid 63 and name HD2*) (resid 87 and name HN) ! 0.4757 953:10 ----- 7.74, 8.67 A assign (resid 36 and name HD2*) (resid 40 and name HN) 3.65 1.85 1.85 ! 0.0000 954:10 Mid 5.99, 6.30 A assign (resid 13 and name HG2*) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.0000 955:10 Intra 4.35, 4.55 A assign (resid 108 and name HG1*) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.8200 956:10 Ambig 5.13, 5.70 A or (resid 119 and name HG2*) (resid 111 and name HN) ! 0.1800 956:10 ----- 6.60, 7.74 A assign (resid 91 and name HD1*) (resid 111 and name HN) 4.15 2.35 2.35 ! 0.0000 957:10 Long 6.73, 7.72 A assign (resid 108 and name HG2*) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.0000 958:10 Mid 5.63, 6.27 A assign (resid 91 and name HD1*) (resid 88 and name HN) 4.15 2.35 2.35 ! 0.8611 959:10 Ambig 6.63, 7.18 A or (resid 66 and name HG2*) (resid 88 and name HN) ! 0.1389 959:10 ----- 8.99, 9.75 A assign (resid 24 and name HG2*) (resid 24 and name HN) 3.15 1.35 1.35 ! 0.8882 960:10 Ambig 4.31, 4.50 A or (resid 28 and name HD1*) (resid 24 and name HN) ! 0.1118 960:10 ----- 6.09, 7.08 A assign (resid 119 and name HG2*) (resid 119 and name HN) 3.15 1.35 1.35 ! 0.9071 961:10 Intra 4.32, 4.69 A assign (resid 108 and name HG1*) (resid 110 and name HN) 3.65 1.85 1.85 ! 0.9175 962:10 Mid 5.46, 6.25 A assign (resid 108 and name HG2*) (resid 110 and name HN) 3.65 1.85 1.85 ! 0.0000 963:10 Mid 5.89, 6.53 A assign (resid 63 and name HD1*) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.0000 964:10 Long 5.90, 6.89 A assign (resid 61 and name HE1) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.0000 965:10 Seq 4.97, 5.12 A assign (resid 45 and name HN) (resid 117 and name HN) 4.15 2.35 2.35 ! 0.9872 966:10 Long 4.34, 4.52 A assign (resid 22 and name HN) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.0000 967:10 Long 3.22, 3.39 A assign (resid 34 and name HN) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.0000 968:10 Seq 3.95, 4.09 A assign (resid 79 and name HN) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.9118 969:10 Seq 4.27, 4.36 A assign (resid 118 and name HN) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.0000 970:10 Seq 2.41, 2.46 A assign (resid 65 and name HN) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.9511 971:10 Seq 4.14, 4.21 A assign (resid 91 and name HN) (resid 92 and name HN) 2.30 0.50 0.50 ! 0.0000 972:10 Seq 2.53, 2.65 A assign (resid 28 and name HN) (resid 29 and name HN) 2.30 0.50 0.50 ! 0.0000 973:10 Seq 2.42, 2.48 A assign (resid 31 and name HN) (resid 29 and name HN) 2.65 0.85 0.85 ! 0.5969 974:10 Ambig 3.51, 3.70 A or (resid 27 and name HN) (resid 29 and name HN) ! 0.4031 974:10 ----- 3.75, 3.89 A assign (resid 95 and name HN) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.7012 975:10 Ambig 3.72, 3.83 A or (resid 98 and name HN) (resid 97 and name HN) ! 0.2988 975:10 ----- 4.29, 4.40 A assign (resid 96 and name HN) (resid 97 and name HN) 2.30 0.50 0.50 ! 0.9955 976:10 Seq 2.16, 2.27 A assign (resid 61 and name HN) (resid 60 and name HN) 2.65 0.85 0.85 ! 0.9998 977:10 Seq 2.44, 2.51 A assign (resid 59 and name HN) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.9992 978:10 Seq 2.52, 2.63 A assign (resid 77 and name HN) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.9640 979:10 Seq 3.26, 3.43 A assign (resid 116 and name HN) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.0000 980:10 Seq 2.50, 2.55 A assign (resid 24 and name HN) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.9052 982:10 Long 4.25, 4.47 A assign (resid 87 and name HD22) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.9184 983:10 Mid 3.01, 3.81 A assign (resid 108 and name HN) (resid 109 and name HN) 2.65 0.85 0.85 ! 0.0000 984:10 Seq 2.53, 2.64 A assign (resid 116 and name HN) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.0000 985:10 Seq 3.63, 3.72 A assign (resid 142 and name HD2) (resid 142 and name HN) 2.65 0.85 0.85 ! 0.4250 986:10 Ambig 2.60, 3.95 A or (resid 110 and name HN) (resid 109 and name HN) ! 0.3409 986:10 ----- 2.70, 2.77 A or (resid 143 and name HD2) (resid 142 and name HN) ! 0.2184 986:10 ----- 2.91, 4.71 A assign (resid 58 and name HN) (resid 59 and name HN) 2.65 0.85 0.85 ! 0.9892 987:10 Seq 2.75, 2.82 A assign (resid 58 and name HN) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.5272 988:10 Ambig 4.30, 4.40 A or (resid 62 and name HN) (resid 60 and name HN) ! 0.4728 988:10 ----- 4.38, 4.62 A assign (resid 119 and name HN) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.7551 989:10 Ambig 4.22, 4.36 A or (resid 115 and name HD*) (resid 117 and name HN) ! 0.1265 989:10 ----- 5.69, 6.79 A or (resid 48 and name HN) (resid 117 and name HN) ! 0.1184 989:10 ----- 5.75, 6.12 A assign (resid 21 and name HD*) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.0000 990:10 Long 4.55, 5.92 A assign (resid 86 and name HN) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.0000 991:10 Mid 4.29, 4.56 A assign (resid 115 and name HD*) (resid 115 and name HN) 2.65 0.85 0.85 ! 0.9973 992:10 Intra 3.16, 3.94 A assign (resid 107 and name HN) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.0000 993:10 Mid 3.70, 3.93 A assign (resid 114 and name HN) (resid 115 and name HN) 2.65 0.85 0.85 ! 0.0000 994:10 Seq 2.22, 2.33 A assign (resid 79 and name HE*) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.9330 995:10 Long 5.47, 6.59 A assign (resid 115 and name HE*) (resid 115 and name HN) 3.65 1.85 1.85 ! 0.9256 996:10 Intra 4.98, 5.56 A assign (resid 68 and name HZ) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.6111 997:10 Ambig 5.32, 5.64 A or (resid 70 and name HZ) (resid 91 and name HN) ! 0.3191 997:10 ----- 5.93, 6.12 A assign (resid 61 and name HD1) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.0000 998:10 Seq 3.33, 3.50 A assign (resid 23 and name HA) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.0000 1000:10 Long 2.70, 2.84 A assign (resid 22 and name HA) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.3807 1001:10 Ambig 4.86, 4.96 A or (resid 21 and name HA) (resid 66 and name HN) ! 0.3298 1001:10 ----- 4.98, 5.10 A or (resid 23 and name HB) (resid 66 and name HN) ! 0.2895 1001:10 ----- 5.09, 5.23 A assign (resid 65 and name HA) (resid 66 and name HN) 2.30 0.50 0.50 ! 0.0000 1002:10 Seq 1.99, 2.07 A assign (resid 115 and name HA) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.0000 1003:10 Intra 2.93, 2.94 A assign (resid 23 and name HA) (resid 25 and name HN) 3.65 1.85 1.85 ! 0.0000 1004:10 Mid 4.14, 4.24 A assign (resid 23 and name HB) (resid 25 and name HN) 2.65 0.85 0.85 ! 0.0000 1005:10 Mid 2.46, 2.63 A assign (resid 33 and name HA) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.0000 1006:10 Intra 2.84, 2.90 A assign (resid 104 and name HA) (resid 78 and name HN) 3.65 1.85 1.85 ! 0.9261 1007:10 Long 4.89, 5.11 A assign (resid 78 and name HA) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.9395 1008:10 Intra 2.92, 2.93 A assign (resid 117 and name HB1) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.9778 1009:10 Intra 2.60, 2.69 A assign (resid 116 and name HB) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.9908 1010:10 Seq 2.47, 2.66 A assign (resid 116 and name HA) (resid 117 and name HN) 2.65 0.85 0.85 ! 0.5135 1011:10 Ambig 3.54, 3.57 A or (resid 117 and name HB2) (resid 117 and name HN) ! 0.4773 1011:10 ----- 3.59, 3.62 A assign (resid 67 and name HA) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.8907 1012:10 Ambig 4.83, 4.88 A or (resid 27 and name HA) (resid 66 and name HN) ! 0.0605 1012:10 ----- 7.57, 7.79 A assign (resid 66 and name HA) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.0000 1013:10 Intra 2.90, 2.91 A assign (resid 64 and name HA) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.9364 1014:10 Mid 5.45, 5.54 A assign (resid 83 and name HA1) (resid 84 and name HN) 2.30 0.50 0.50 ! 0.8153 1015:10 Ambig 2.23, 2.32 A or (resid 84 and name HA) (resid 84 and name HN) ! 0.1839 1015:10 ----- 2.86, 2.89 A assign (resid 114 and name HA) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.9750 1017:10 Seq 3.55, 3.57 A assign (resid 116 and name HA) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.5191 1018:10 Ambig 4.19, 4.27 A or (resid 113 and name HA) (resid 115 and name HN) ! 0.4248 1018:10 ----- 4.33, 4.67 A assign (resid 106 and name HA) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9313 1019:10 Mid 3.09, 3.32 A assign (resid 92 and name HB1) (resid 92 and name HN) 2.65 0.85 0.85 ! 0.9939 1021:10 Intra 2.50, 3.05 A assign (resid 89 and name HA) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.0000 1022:10 Mid 3.12, 3.32 A assign (resid 137 and name HA) (resid 141 and name HN) 2.65 0.85 0.85 ! 0.8494 1023:10 Ambig 2.29, 2.90 A or (resid 140 and name HA) (resid 141 and name HN) ! 0.0864 1023:10 ----- 3.35, 3.48 A assign (resid 92 and name HB2) (resid 92 and name HN) 2.65 0.85 0.85 ! 0.9740 1024:10 Intra 2.33, 2.78 A assign (resid 90 and name HA) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.8232 1025:10 Ambig 3.51, 3.53 A or (resid 92 and name HB2) (resid 91 and name HN) ! 0.1705 1025:10 ----- 4.57, 5.20 A assign (resid 30 and name HA1) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.6930 1027:10 Ambig 5.08, 5.19 A or (resid 31 and name HA) (resid 29 and name HN) ! 0.1804 1027:10 ----- 6.36, 6.55 A or (resid 32 and name HA) (resid 29 and name HN) ! 0.0886 1027:10 ----- 7.16, 7.47 A assign (resid 26 and name HA) (resid 29 and name HN) 2.65 0.85 0.85 ! 0.7594 1028:10 Ambig 3.20, 3.40 A or (resid 27 and name HA) (resid 29 and name HN) ! 0.2406 1028:10 ----- 3.88, 4.04 A assign (resid 62 and name HA) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.0000 1030:10 Long 3.14, 3.37 A assign (resid 92 and name HA) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.7212 1031:10 Ambig 2.48, 2.86 A or (resid 97 and name HA) (resid 97 and name HN) ! 0.2788 1031:10 ----- 2.91, 2.94 A assign (resid 92 and name HB1) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.5067 1032:10 Ambig 4.44, 4.89 A or (resid 95 and name HA) (resid 97 and name HN) ! 0.4376 1032:10 ----- 4.55, 4.84 A assign (resid 96 and name HA1) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.7216 1033:10 Ambig 3.38, 3.46 A or (resid 92 and name HB2) (resid 97 and name HN) ! 0.2635 1033:10 ----- 4.00, 5.09 A assign (resid 32 and name HA) (resid 33 and name HN) 2.65 0.85 0.85 ! 0.6839 1034:10 Ambig 2.81, 3.14 A or (resid 31 and name HA) (resid 33 and name HN) ! 0.3115 1034:10 ----- 3.20, 3.44 A assign (resid 61 and name HA) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.0000 1035:10 Seq 4.82, 4.88 A assign (resid 59 and name HA) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.9902 1036:10 Seq 3.43, 3.49 A assign (resid 60 and name HA) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.9820 1037:10 Intra 2.86, 2.87 A assign (resid 105 and name HA) (resid 78 and name HN) 3.65 1.85 1.85 ! 0.5160 1039:10 Ambig 5.42, 5.83 A or (resid 74 and name HA) (resid 78 and name HN) ! 0.3277 1039:10 ----- 5.85, 7.17 A or (resid 75 and name HA) (resid 78 and name HN) ! 0.1563 1039:10 ----- 6.62, 7.03 A assign (resid 77 and name HA1) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.7516 1040:10 Ambig 3.50, 3.53 A or (resid 76 and name HA) (resid 78 and name HN) ! 0.2484 1040:10 ----- 4.21, 4.37 A assign (resid 115 and name HB1) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.0000 1041:10 Mid 4.38, 4.57 A assign (resid 67 and name HD*) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.9590 1042:10 Seq 5.13, 5.43 A assign (resid 24 and name HA) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.9717 1043:10 Long 4.85, 5.04 A assign (resid 83 and name HA2) (resid 84 and name HN) 2.30 0.50 0.50 ! 0.9906 1044:10 Seq 2.60, 2.79 A assign (resid 87 and name HB1) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.7414 1045:10 Ambig 3.74, 4.07 A or (resid 86 and name HB2) (resid 84 and name HN) ! 0.2247 1045:10 ----- 4.56, 4.94 A assign (resid 112 and name HA) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.0000 1046:10 Mid 3.59, 3.71 A assign (resid 109 and name HA) (resid 109 and name HN) 2.65 0.85 0.85 ! 0.0000 1047:10 Intra 2.75, 2.79 A assign (resid 115 and name HB1) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.9249 1048:10 Intra 3.77, 3.80 A assign (resid 88 and name HA) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.9465 1049:10 Mid 4.08, 4.24 A assign (resid 91 and name HA) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.9931 1050:10 Seq 3.47, 3.51 A assign (resid 141 and name HB2) (resid 141 and name HN) 2.65 0.85 0.85 ! 0.8977 1051:10 Ambig 2.45, 3.09 A or (resid 141 and name HB1) (resid 141 and name HN) ! 0.0806 1051:10 ----- 3.67, 3.94 A assign (resid 88 and name HA) (resid 91 and name HN) 2.65 0.85 0.85 ! 0.9970 1052:10 Mid 3.30, 3.44 A assign (resid 57 and name HD2) (resid 59 and name HN) 4.15 2.35 2.35 ! 0.5925 1053:10 Ambig 6.33, 6.40 A or (resid 61 and name HB1) (resid 59 and name HN) ! 0.2890 1053:10 ----- 7.13, 7.21 A or (resid 53 and name HA) (resid 59 and name HN) ! 0.1185 1053:10 ----- 8.27, 8.49 A assign (resid 91 and name HA) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.9979 1054:10 Intra 2.81, 2.83 A assign (resid 28 and name HA) (resid 29 and name HN) 2.65 0.85 0.85 ! 0.7302 1055:10 Ambig 3.40, 3.43 A or (resid 25 and name HA) (resid 29 and name HN) ! 0.2698 1055:10 ----- 4.01, 4.31 A assign (resid 30 and name HA2) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.9779 1056:10 Seq 4.79, 4.93 A assign (resid 25 and name HA) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.9833 1057:10 Intra 2.79, 2.81 A assign (resid 61 and name HB1) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.9980 1058:10 Long 2.90, 3.12 A assign (resid 24 and name HA) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.9976 1059:10 Seq 3.40, 3.46 A assign (resid 96 and name HA2) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.9992 1060:10 Seq 2.65, 2.83 A assign (resid 91 and name HA) (resid 97 and name HN) 4.15 2.35 2.35 ! 0.0000 1061:10 Long 5.95, 6.29 A assign (resid 61 and name HB1) (resid 60 and name HN) 4.15 2.35 2.35 ! 0.0000 1063:10 Seq 5.99, 6.07 A assign (resid 59 and name HB1) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.7373 1064:10 Ambig 3.80, 3.86 A or (resid 61 and name HB2) (resid 60 and name HN) ! 0.1867 1064:10 ----- 4.78, 4.88 A assign (resid 77 and name HA2) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.9777 1065:10 Seq 2.48, 2.63 A assign (resid 73 and name HB*) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.0000 1066:10 Long 2.25, 2.98 A assign (resid 115 and name HB2) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.8464 1067:10 Ambig 5.15, 5.36 A or (resid 51 and name HE*) (resid 117 and name HN) ! 0.1536 1067:10 ----- 6.84, 8.24 A assign (resid 48 and name HG1) (resid 117 and name HN) 4.15 2.35 2.35 ! 0.9990 1068:10 Long 2.39, 4.32 A assign (resid 48 and name HG2) (resid 117 and name HN) 4.15 2.35 2.35 ! 0.0000 1069:10 Long 4.13, 4.87 A assign (resid 21 and name HB1) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.9797 1071:10 Long 3.32, 3.51 A assign (resid 21 and name HB2) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.7372 1072:10 Ambig 4.59, 4.78 A or (resid 26 and name HB2) (resid 66 and name HN) ! 0.1977 1072:10 ----- 5.71, 5.85 A assign (resid 65 and name HE*) (resid 84 and name HN) 4.15 2.35 2.35 ! 0.4898 1073:10 Ambig 4.36, 6.56 A or (resid 88 and name HE1) (resid 84 and name HN) ! 0.4419 1073:10 ----- 4.44, 5.12 A assign (resid 87 and name HB2) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.9988 1074:10 Mid 2.42, 2.78 A assign (resid 84 and name HG*) (resid 84 and name HN) 2.30 0.50 0.50 ! 0.9996 1075:10 Intra 1.92, 3.10 A assign (resid 84 and name HB*) (resid 84 and name HN) 2.30 0.50 0.50 ! 0.0000 1076:10 Intra 2.29, 3.04 A assign (resid 145 and name HB2) (resid 142 and name HN) 2.65 0.85 0.85 ! 0.4872 1077:10 Ambig 3.28, 9.48 A or (resid 108 and name HA) (resid 109 and name HN) ! 0.3231 1077:10 ----- 3.51, 3.53 A or (resid 143 and name HB2) (resid 142 and name HN) ! 0.1452 1077:10 ----- 4.01, 5.16 A assign (resid 115 and name HB2) (resid 115 and name HN) 2.65 0.85 0.85 ! 0.9995 1078:10 Intra 2.71, 2.78 A assign (resid 107 and name HB2) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.8516 1079:10 Ambig 4.87, 5.01 A or (resid 138 and name HG2) (resid 142 and name HN) ! 0.1484 1079:10 ----- 6.52, 9.05 A assign (resid 109 and name HG1) (resid 109 and name HN) 2.65 0.85 0.85 ! 0.9884 1080:10 Intra 2.05, 2.54 A assign (resid 29 and name HB1) (resid 29 and name HN) 2.30 0.50 0.50 ! 0.9833 1081:10 Intra 2.21, 2.46 A assign (resid 29 and name HB2) (resid 29 and name HN) 2.30 0.50 0.50 ! 0.9868 1082:10 Intra 2.49, 2.61 A assign (resid 26 and name HB2) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.0000 1083:10 Mid 5.22, 5.36 A assign (resid 61 and name HB2) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.4560 1084:10 Ambig 4.27, 4.47 A or (resid 25 and name HE*) (resid 25 and name HN) ! 0.4179 1084:10 ----- 4.33, 6.03 A or (resid 53 and name HB1) (resid 25 and name HN) ! 0.0642 1084:10 ----- 5.92, 6.31 A assign (resid 31 and name HE*) (resid 33 and name HN) 4.15 2.35 2.35 ! 0.9678 1086:10 Mid 3.43, 6.35 A assign (resid 33 and name HE*) (resid 33 and name HN) 3.65 1.85 1.85 ! 0.9398 1087:10 Intra 4.22, 5.37 A assign (resid 59 and name HB2) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.0000 1088:10 Seq 2.50, 2.57 A assign (resid 48 and name HB1) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.5881 1089:10 Ambig 3.80, 4.42 A or (resid 48 and name HB2) (resid 117 and name HN) ! 0.4119 1089:10 ----- 4.03, 4.21 A assign (resid 45 and name HB1) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.6116 1090:10 Ambig 5.21, 5.42 A or (resid 118 and name HB1) (resid 117 and name HN) ! 0.3398 1090:10 ----- 5.75, 5.92 A assign (resid 45 and name HD*) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.6511 1092:10 Ambig 4.10, 5.03 A or (resid 118 and name HB2) (resid 117 and name HN) ! 0.2711 1092:10 ----- 4.74, 4.86 A assign (resid 45 and name HB2) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.8728 1093:10 Ambig 3.73, 3.92 A or (resid 119 and name HB) (resid 117 and name HN) ! 0.0786 1093:10 ----- 5.58, 5.75 A assign (resid 118 and name HB1) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.4195 1094:10 Ambig 6.49, 6.72 A or (resid 67 and name HB1) (resid 66 and name HN) ! 0.3030 1094:10 ----- 6.85, 6.92 A or (resid 34 and name HB) (resid 66 and name HN) ! 0.1276 1094:10 ----- 7.91, 8.21 A or (resid 20 and name HB*) (resid 66 and name HN) ! 0.0634 1094:10 ----- 8.89, 9.82 A assign (resid 64 and name HB) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.8915 1095:10 Ambig 5.21, 5.38 A or (resid 25 and name HB1) (resid 66 and name HN) ! 0.0743 1095:10 ----- 7.89, 8.89 A assign (resid 22 and name HB) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.7530 1096:10 Ambig 5.29, 5.45 A or (resid 24 and name HB) (resid 66 and name HN) ! 0.2470 1096:10 ----- 6.36, 6.52 A assign (resid 109 and name HG2) (resid 109 and name HN) 2.65 0.85 0.85 ! 0.9862 1097:10 Intra 2.23, 3.31 A assign (resid 109 and name HB*) (resid 109 and name HN) 2.30 0.50 0.50 ! 0.9798 1098:10 Intra 2.38, 3.04 A assign (resid 108 and name HB) (resid 109 and name HN) 2.65 0.85 0.85 ! 0.8835 1099:10 Ambig 2.58, 2.68 A or (resid 137 and name HB2) (resid 142 and name HN) ! 0.0672 1099:10 ----- 3.96, 6.19 A assign (resid 51 and name HD*) (resid 115 and name HN) 3.65 1.85 1.85 ! 0.4919 1100:10 Ambig 5.06, 6.72 A or (resid 118 and name HB2) (resid 115 and name HN) ! 0.3400 1100:10 ----- 5.39, 5.50 A or (resid 112 and name HG) (resid 115 and name HN) ! 0.1452 1100:10 ----- 6.21, 6.29 A assign (resid 91 and name HB) (resid 92 and name HN) 2.65 0.85 0.85 ! 0.7594 1101:10 Ambig 2.63, 2.69 A or (resid 99 and name HB) (resid 92 and name HN) ! 0.1565 1101:10 ----- 3.43, 4.01 A assign (resid 90 and name HB*) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.4838 1102:10 Ambig 4.65, 5.31 A or (resid 89 and name HG1) (resid 92 and name HN) ! 0.2448 1102:10 ----- 5.20, 5.43 A or (resid 97 and name HB*) (resid 92 and name HN) ! 0.2111 1102:10 ----- 5.34, 6.76 A assign (resid 91 and name HB) (resid 91 and name HN) 2.30 0.50 0.50 ! 0.9399 1103:10 Intra 2.55, 2.62 A assign (resid 90 and name HB*) (resid 91 and name HN) 2.30 0.50 0.50 ! 0.9952 1104:10 Seq 2.25, 3.18 A assign (resid 22 and name HB) (resid 29 and name HN) 4.15 2.35 2.35 ! 0.6321 1105:10 Ambig 6.27, 6.51 A or (resid 24 and name HB) (resid 29 and name HN) ! 0.2051 1105:10 ----- 7.56, 7.69 A or (resid 50 and name HG1) (resid 29 and name HN) ! 0.1628 1105:10 ----- 7.86, 8.26 A assign (resid 28 and name HB1) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.7759 1106:10 Ambig 3.72, 3.77 A or (resid 25 and name HB1) (resid 29 and name HN) ! 0.1630 1106:10 ----- 4.82, 5.41 A assign (resid 24 and name HB) (resid 25 and name HN) 2.65 0.85 0.85 ! 0.9957 1107:10 Seq 2.51, 2.60 A assign (resid 25 and name HB1) (resid 25 and name HN) 2.65 0.85 0.85 ! 0.9256 1108:10 Intra 2.49, 3.07 A assign (resid 25 and name HB2) (resid 25 and name HN) 2.30 0.50 0.50 ! 0.0000 1109:10 Intra 2.09, 2.35 A assign (resid 97 and name HB*) (resid 97 and name HN) 2.30 0.50 0.50 ! 0.9012 1110:10 Intra 2.35, 3.17 A assign (resid 43 and name HG2) (resid 33 and name HN) 3.65 1.85 1.85 ! 0.7902 1111:10 Ambig 4.58, 5.43 A or (resid 34 and name HB) (resid 33 and name HN) ! 0.1432 1111:10 ----- 6.09, 6.49 A assign (resid 33 and name HB*) (resid 33 and name HN) 2.65 0.85 0.85 ! 0.8606 1112:10 Ambig 2.50, 2.88 A or (resid 31 and name HD*) (resid 33 and name HN) ! 0.0789 1112:10 ----- 3.73, 5.41 A assign (resid 57 and name HB2) (resid 60 and name HN) 2.65 0.85 0.85 ! 0.5585 1113:10 Ambig 3.18, 3.28 A or (resid 60 and name HB1) (resid 60 and name HN) ! 0.2748 1113:10 ----- 3.58, 3.61 A or (resid 56 and name HG12) (resid 60 and name HN) ! 0.1641 1113:10 ----- 3.90, 3.98 A assign (resid 60 and name HB2) (resid 60 and name HN) 2.65 0.85 0.85 ! 0.9968 1114:10 Intra 2.45, 2.53 A assign (resid 78 and name HG1) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.0000 1115:10 Intra 2.42, 3.01 A assign (resid 78 and name HB2) (resid 78 and name HN) 2.30 0.50 0.50 ! 0.9082 1116:10 Intra 2.51, 2.62 A assign (resid 116 and name HG2*) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.0000 1118:10 Seq 3.71, 4.54 A assign (resid 118 and name HD2*) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.8074 1119:10 Ambig 3.91, 5.04 A or (resid 118 and name HD1*) (resid 117 and name HN) ! 0.0927 1119:10 ----- 5.61, 6.14 A assign (resid 66 and name HG11) (resid 66 and name HN) 2.65 0.85 0.85 ! 0.9924 1120:10 Intra 2.80, 2.87 A assign (resid 65 and name HG1) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.9256 1121:10 Seq 4.55, 4.95 A assign (resid 66 and name HG12) (resid 66 and name HN) 2.65 0.85 0.85 ! 0.9586 1122:10 Intra 1.94, 2.01 A assign (resid 65 and name HB2) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.7203 1123:10 Ambig 3.84, 4.33 A or (resid 88 and name HG1) (resid 84 and name HN) ! 0.2317 1123:10 ----- 4.63, 4.96 A assign (resid 64 and name HG1*) (resid 84 and name HN) 4.15 2.35 2.35 ! 0.6031 1124:10 Ambig 5.22, 6.56 A or (resid 69 and name HD1*) (resid 84 and name HN) ! 0.3405 1124:10 ----- 5.74, 7.31 A assign (resid 111 and name HB2) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.5551 1125:10 Ambig 5.02, 5.11 A or (resid 139 and name HB2) (resid 142 and name HN) ! 0.2655 1125:10 ----- 5.67, 7.92 A or (resid 112 and name HB1) (resid 109 and name HN) ! 0.1320 1125:10 ----- 6.37, 6.58 A assign (resid 114 and name HB1) (resid 115 and name HN) 2.65 0.85 0.85 ! 0.9947 1126:10 Seq 2.42, 2.49 A assign (resid 106 and name HG2*) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.5278 1127:10 Ambig 5.15, 5.83 A or (resid 106 and name HG1*) (resid 109 and name HN) ! 0.3509 1127:10 ----- 5.52, 6.19 A or (resid 103 and name HG12) (resid 109 and name HN) ! 0.0382 1127:10 ----- 7.98, 8.10 A assign (resid 119 and name HD1*) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.7985 1128:10 Ambig 3.76, 4.58 A or (resid 112 and name HD2*) (resid 115 and name HN) ! 0.0888 1128:10 ----- 5.42, 6.50 A or (resid 118 and name HD1*) (resid 115 and name HN) ! 0.0739 1128:10 ----- 5.59, 6.62 A assign (resid 112 and name HD1*) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.6899 1129:10 Ambig 4.10, 5.20 A or (resid 121 and name HD1*) (resid 109 and name HN) ! 0.1006 1129:10 ----- 5.65, 6.82 A or (resid 139 and name HD2*) (resid 142 and name HN) ! 0.0785 1129:10 ----- 5.89, 9.96 A or (resid 95 and name HD1*) (resid 109 and name HN) ! 0.0483 1129:10 ----- 6.38, 7.48 A assign (resid 114 and name HB2) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.8252 1130:10 Ambig 3.62, 3.76 A or (resid 119 and name HG11) (resid 115 and name HN) ! 0.1748 1130:10 ----- 4.69, 4.95 A assign (resid 99 and name HG1*) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.7907 1131:10 Ambig 3.79, 4.78 A or (resid 91 and name HG11) (resid 92 and name HN) ! 0.1712 1131:10 ----- 4.89, 4.97 A assign (resid 91 and name HG2*) (resid 92 and name HN) 2.65 0.85 0.85 ! 0.6808 1132:10 Ambig 3.80, 4.53 A or (resid 99 and name HG2*) (resid 92 and name HN) ! 0.1414 1132:10 ----- 4.93, 5.99 A or (resid 95 and name HD1*) (resid 92 and name HN) ! 0.0651 1132:10 ----- 5.61, 6.87 A or (resid 81 and name HG2*) (resid 92 and name HN) ! 0.0484 1132:10 ----- 5.90, 7.09 A assign (resid 91 and name HG12) (resid 91 and name HN) 2.30 0.50 0.50 ! 0.9617 1133:10 Intra 1.98, 2.03 A assign (resid 58 and name HG) (resid 59 and name HN) 3.65 1.85 1.85 ! 0.6900 1134:10 Ambig 3.50, 4.92 A or (resid 60 and name HG) (resid 59 and name HN) ! 0.2903 1134:10 ----- 4.04, 4.09 A assign (resid 91 and name HG2*) (resid 91 and name HN) 2.65 0.85 0.85 ! 0.4271 1135:10 Ambig 4.43, 4.55 A or (resid 99 and name HG2*) (resid 91 and name HN) ! 0.1455 1135:10 ----- 5.30, 6.68 A or (resid 56 and name HD1*) (resid 91 and name HN) ! 0.1275 1135:10 ----- 5.41, 6.24 A or (resid 64 and name HG1*) (resid 91 and name HN) ! 0.0989 1135:10 ----- 5.65, 6.41 A or (resid 81 and name HG2*) (resid 91 and name HN) ! 0.0883 1135:10 ----- 5.76, 6.87 A or (resid 95 and name HD1*) (resid 91 and name HN) ! 0.0487 1135:10 ----- 6.36, 7.41 A assign (resid 28 and name HB2) (resid 29 and name HN) 2.65 0.85 0.85 ! 0.9160 1136:10 Seq 2.70, 2.79 A assign (resid 49 and name HG1*) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.7744 1137:10 Ambig 5.31, 6.48 A or (resid 49 and name HG2*) (resid 29 and name HN) ! 0.1867 1137:10 ----- 6.73, 7.97 A assign (resid 27 and name HB*) (resid 25 and name HN) 3.65 1.85 1.85 ! 0.4131 1138:10 Ambig 5.10, 6.11 A or (resid 28 and name HB2) (resid 25 and name HN) ! 0.3886 1138:10 ----- 5.15, 5.31 A or (resid 65 and name HD*) (resid 25 and name HN) ! 0.0840 1138:10 ----- 6.64, 9.71 A or (resid 65 and name HG2) (resid 25 and name HN) ! 0.0567 1138:10 ----- 7.10, 7.45 A assign (resid 23 and name HG2*) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.8721 1139:10 Ambig 4.61, 5.01 A or (resid 64 and name HG2*) (resid 25 and name HN) ! 0.0603 1139:10 ----- 7.20, 8.03 A assign (resid 24 and name HD1*) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.9275 1140:10 Seq 4.88, 5.56 A assign (resid 95 and name HB2) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.6341 1141:10 Ambig 2.60, 2.91 A or (resid 97 and name HG*) (resid 97 and name HN) ! 0.3605 1141:10 ----- 2.85, 3.72 A assign (resid 99 and name HD1*) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.5581 1142:10 Ambig 3.88, 4.26 A or (resid 95 and name HD1*) (resid 97 and name HN) ! 0.2369 1142:10 ----- 4.48, 5.55 A or (resid 91 and name HG2*) (resid 97 and name HN) ! 0.1813 1142:10 ----- 4.68, 6.10 A assign (resid 32 and name HB2) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.9048 1143:10 Seq 2.88, 3.68 A assign (resid 56 and name HG2*) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.5780 1144:10 Ambig 5.18, 6.17 A or (resid 58 and name HB2) (resid 60 and name HN) ! 0.3666 1144:10 ----- 5.58, 5.70 A assign (resid 60 and name HG) (resid 60 and name HN) 2.30 0.50 0.50 ! 0.9737 1145:10 Intra 2.34, 2.40 A assign (resid 76 and name HG2*) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.9306 1146:10 Mid 2.65, 4.13 A assign (resid 66 and name HD1*) (resid 117 and name HN) 4.15 2.35 2.35 ! 0.3764 1147:10 Ambig 7.78, 9.05 A or (resid 119 and name HG2*) (resid 117 and name HN) ! 0.3687 1147:10 ----- 7.81, 8.23 A or (resid 52 and name HD2*) (resid 117 and name HN) ! 0.2548 1147:10 ----- 8.30, 9.45 A assign (resid 66 and name HD1*) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.8990 1148:10 Ambig 4.21, 4.47 A or (resid 52 and name HD2*) (resid 66 and name HN) ! 0.0857 1148:10 ----- 6.23, 6.83 A assign (resid 66 and name HG2*) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.0000 1149:10 Intra 2.75, 3.63 A assign (resid 108 and name HG1*) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9840 1150:10 Seq 3.64, 4.42 A assign (resid 119 and name HG2*) (resid 115 and name HN) 3.65 1.85 1.85 ! 0.4123 1151:10 Ambig 6.57, 7.52 A or (resid 52 and name HD1*) (resid 115 and name HN) ! 0.3088 1151:10 ----- 6.89, 8.09 A or (resid 52 and name HD2*) (resid 115 and name HN) ! 0.1514 1151:10 ----- 7.76, 9.01 A or (resid 108 and name HG1*) (resid 115 and name HN) ! 0.1275 1151:10 ----- 7.99, 8.69 A assign (resid 108 and name HG2*) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.0000 1152:10 Seq 4.09, 4.70 A assign (resid 91 and name HD1*) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.0000 1153:10 Seq 4.95, 5.65 A assign (resid 94 and name HD1*) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.8728 1154:10 Ambig 3.97, 5.13 A or (resid 60 and name HD1*) (resid 91 and name HN) ! 0.0882 1154:10 ----- 5.81, 6.80 A assign (resid 91 and name HD1*) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.9974 1155:10 Intra 3.05, 3.83 A assign (resid 28 and name HD2*) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.8710 1156:10 Ambig 5.13, 5.78 A or (resid 66 and name HD1*) (resid 29 and name HN) ! 0.1290 1156:10 ----- 7.05, 8.17 A assign (resid 28 and name HD1*) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.0000 1157:10 Seq 4.96, 5.62 A assign (resid 24 and name HG2*) (resid 25 and name HN) 2.65 0.85 0.85 ! 0.7559 1158:10 Ambig 3.66, 4.42 A or (resid 28 and name HD1*) (resid 25 and name HN) ! 0.2441 1158:10 ----- 4.42, 5.53 A assign (resid 60 and name HD1*) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.8471 1159:10 Ambig 4.15, 4.63 A or (resid 24 and name HD1*) (resid 60 and name HN) ! 0.1529 1159:10 ----- 5.52, 6.52 A assign (resid 58 and name HD1*) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.0000 1160:10 Mid 5.01, 6.08 A assign (resid 58 and name HD2*) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.0000 1161:10 Mid 5.76, 6.80 A assign (resid 103 and name HD1*) (resid 91 and name HN) 4.15 2.35 2.35 ! 0.0000 1163:10 Long 6.69, 7.75 A assign (resid 63 and name HD1*) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.0000 1164:10 Mid 4.22, 5.31 A assign (resid 61 and name HE1) (resid 56 and name HN) 3.65 1.85 1.85 ! 0.0000 1165:10 Long 3.91, 4.05 A assign (resid 42 and name HN) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.9673 1166:10 Seq 4.25, 4.37 A assign (resid 103 and name HN) (resid 102 and name HN) 3.65 1.85 1.85 ! 0.9141 1167:10 Seq 4.28, 4.39 A assign (resid 100 and name HN) (resid 102 and name HN) 3.65 1.85 1.85 ! 0.0000 1168:10 Mid 2.46, 3.16 A assign (resid 112 and name HN) (resid 113 and name HN) 2.65 0.85 0.85 ! 0.0000 1169:10 Seq 2.63, 2.76 A assign (resid 35 and name HN) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.9899 1170:10 Long 3.42, 3.83 A assign (resid 19 and name HN) (resid 20 and name HN) 2.30 0.50 0.50 ! 0.0000 1171:10 Seq 2.02, 2.17 A assign (resid 100 and name HN) (resid 101 and name HN) 2.65 0.85 0.85 ! 0.0000 1172:10 Seq 2.19, 2.57 A assign (resid 96 and name HN) (resid 95 and name HN) 2.30 0.50 0.50 ! 0.7682 1173:10 Ambig 2.19, 2.23 A or (resid 94 and name HN) (resid 95 and name HN) ! 0.2313 1173:10 ----- 2.67, 2.75 A assign (resid 123 and name HN) (resid 124 and name HN) 3.65 1.85 1.85 ! 0.0000 1174:10 Seq 4.23, 4.39 A assign (resid 129 and name HN) (resid 130 and name HN) 3.15 1.35 1.35 ! 0.6955 1175:10 Ambig 3.29, 4.35 A or (resid 132 and name HN) (resid 130 and name HN) ! 0.2944 1175:10 ----- 3.80, 4.12 A assign (resid 101 and name HN) (resid 102 and name HN) 2.30 0.50 0.50 ! 0.9950 1176:10 Seq 1.76, 2.01 A assign (resid 37 and name HN) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.9627 1177:10 Seq 2.58, 2.69 A assign (resid 39 and name HN) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.9963 1178:10 Seq 2.14, 2.47 A assign (resid 53 and name HN) (resid 54 and name HN) 2.65 0.85 0.85 ! 0.0000 1179:10 Seq 2.66, 2.76 A assign (resid 115 and name HN) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.0000 1180:10 Mid 3.99, 4.13 A assign (resid 36 and name HN) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.5029 1181:10 Ambig 5.60, 5.75 A or (resid 37 and name HN) (resid 20 and name HN) ! 0.4971 1181:10 ----- 5.61, 5.83 A assign (resid 49 and name HN) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 1182:10 Mid 3.87, 3.95 A assign (resid 102 and name HN) (resid 101 and name HN) 2.30 0.50 0.50 ! 0.0000 1183:10 Seq 1.76, 2.01 A assign (resid 40 and name HN) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.0000 1184:10 Seq 4.53, 4.57 A assign (resid 40 and name HD*) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.9849 1185:10 Seq 3.27, 4.49 A assign (resid 97 and name HN) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.5780 1186:10 Ambig 3.72, 3.83 A or (resid 93 and name HN) (resid 95 and name HN) ! 0.4220 1186:10 ----- 3.92, 4.10 A assign (resid 60 and name HN) (resid 59 and name HN) 3.15 1.35 1.35 ! 0.9985 1187:10 Seq 2.52, 2.63 A assign (resid 16 and name HN) (resid 15 and name HN) 2.65 0.85 0.85 ! 0.9559 1188:10 Seq 2.25, 2.55 A assign (resid 37 and name HD21) (resid 15 and name HN) 3.65 1.85 1.85 ! 0.7261 1189:10 Ambig 4.12, 5.20 A or (resid 14 and name HD*) (resid 15 and name HN) ! 0.2739 1189:10 ----- 4.85, 5.53 A assign (resid 55 and name HN) (resid 56 and name HN) 2.30 0.50 0.50 ! 0.0000 1190:10 Seq 1.89, 2.02 A assign (resid 21 and name HN) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.0000 1191:10 Seq 4.23, 4.27 A assign (resid 21 and name HD*) (resid 22 and name HN) 3.15 1.35 1.35 ! 0.0000 1192:10 Seq 3.82, 4.82 A assign (resid 48 and name HN) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.0000 1193:10 Seq 2.65, 2.72 A assign (resid 101 and name HD22) (resid 101 and name HN) 3.65 1.85 1.85 ! 0.0000 1194:10 Intra 4.38, 4.82 A assign (resid 41 and name HD*) (resid 41 and name HN) 2.65 0.85 0.85 ! 0.0000 1195:10 Intra 2.78, 4.04 A assign (resid 59 and name HD*) (resid 59 and name HN) 2.65 0.85 0.85 ! 0.0000 1196:10 Intra 2.71, 3.29 A assign (resid 59 and name HE*) (resid 59 and name HN) 3.15 1.35 1.35 ! 0.0000 1197:10 Intra 4.10, 4.54 A assign (resid 61 and name HD1) (resid 59 and name HN) 3.65 1.85 1.85 ! 0.0000 1198:10 Mid 4.76, 4.96 A assign (resid 129 and name HD*) (resid 130 and name HN) 3.65 1.85 1.85 ! 0.0000 1199:10 Seq 2.81, 4.73 A assign (resid 79 and name HE*) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 1200:10 Long 5.06, 7.18 A assign (resid 114 and name HN) (resid 113 and name HN) 2.65 0.85 0.85 ! 0.0000 1201:10 Seq 2.25, 2.40 A assign (resid 21 and name HA) (resid 22 and name HN) 2.30 0.50 0.50 ! 0.8287 1202:10 Ambig 2.23, 2.33 A or (resid 22 and name HA) (resid 22 and name HN) ! 0.1703 1202:10 ----- 2.90, 2.92 A assign (resid 102 and name HA) (resid 101 and name HN) 3.65 1.85 1.85 ! 0.7949 1203:10 Ambig 4.41, 4.58 A or (resid 80 and name HA) (resid 101 and name HN) ! 0.2051 1203:10 ----- 5.53, 5.83 A assign (resid 41 and name HA) (resid 41 and name HN) 3.15 1.35 1.35 ! 0.0000 1204:10 Intra 2.91, 2.92 A assign (resid 124 and name HA) (resid 124 and name HN) 2.65 0.85 0.85 ! 0.9993 1206:10 Intra 2.76, 2.80 A assign (resid 14 and name HA) (resid 15 and name HN) 2.65 0.85 0.85 ! 0.0000 1207:10 Seq 2.88, 3.08 A assign (resid 102 and name HA) (resid 102 and name HN) 3.15 1.35 1.35 ! 0.9330 1208:10 Intra 2.89, 2.92 A assign (resid 56 and name HA) (resid 56 and name HN) 3.15 1.35 1.35 ! 0.0000 1209:10 Intra 2.87, 2.88 A assign (resid 47 and name HA) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.0000 1210:10 Intra 2.77, 2.81 A assign (resid 45 and name HA) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.9955 1211:10 Mid 3.58, 3.72 A assign (resid 99 and name HA) (resid 101 and name HN) 3.65 1.85 1.85 ! 0.9749 1213:10 Mid 3.37, 3.91 A assign (resid 92 and name HA) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.9542 1214:10 Mid 3.84, 4.12 A assign (resid 95 and name HA) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.9827 1215:10 Intra 2.89, 2.91 A assign (resid 94 and name HA) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.8643 1216:10 Ambig 3.53, 3.55 A or (resid 96 and name HA1) (resid 95 and name HN) ! 0.1218 1216:10 ----- 4.89, 4.92 A assign (resid 59 and name HA) (resid 59 and name HN) 2.30 0.50 0.50 ! 0.9993 1217:10 Intra 2.80, 2.81 A assign (resid 123 and name HA) (resid 124 and name HN) 2.30 0.50 0.50 ! 0.9936 1218:10 Seq 2.05, 2.14 A assign (resid 127 and name HA) (resid 128 and name HN) 2.65 0.85 0.85 ! 0.9737 1219:10 Seq 2.04, 2.34 A assign (resid 15 and name HB*) (resid 15 and name HN) 2.65 0.85 0.85 ! 0.0000 1220:10 Intra 2.28, 3.05 A assign (resid 129 and name HA) (resid 130 and name HN) 2.30 0.50 0.50 ! 0.9960 1222:10 Seq 2.04, 2.29 A assign (resid 130 and name HB) (resid 130 and name HN) 2.30 0.50 0.50 ! 0.6354 1223:10 Ambig 2.36, 2.91 A or (resid 130 and name HA) (resid 130 and name HN) ! 0.3460 1223:10 ----- 2.62, 2.77 A assign (resid 133 and name HB) (resid 133 and name HN) 2.30 0.50 0.50 ! 0.5483 1224:10 Ambig 2.37, 2.55 A or (resid 133 and name HA) (resid 133 and name HN) ! 0.2236 1224:10 ----- 2.75, 2.79 A or (resid 130 and name HA) (resid 133 and name HN) ! 0.1419 1224:10 ----- 2.96, 3.60 A assign (resid 55 and name HA) (resid 56 and name HN) 2.65 0.85 0.85 ! 0.0000 1226:10 Seq 3.46, 3.49 A assign (resid 38 and name HA) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.7922 1227:10 Ambig 2.88, 2.91 A or (resid 16 and name HA) (resid 38 and name HN) ! 0.2078 1227:10 ----- 3.60, 4.02 A assign (resid 15 and name HA) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.6424 1228:10 Ambig 2.98, 3.59 A or (resid 37 and name HA) (resid 38 and name HN) ! 0.3513 1228:10 ----- 3.29, 3.41 A assign (resid 54 and name HA) (resid 54 and name HN) 2.65 0.85 0.85 ! 0.0000 1229:10 Intra 2.80, 2.85 A assign (resid 54 and name HB2) (resid 54 and name HN) 2.30 0.50 0.50 ! 0.5152 1230:10 Ambig 2.43, 2.64 A or (resid 54 and name HB1) (resid 54 and name HN) ! 0.4841 1230:10 ----- 2.45, 3.30 A assign (resid 111 and name HA) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.7002 1231:10 Ambig 4.18, 4.34 A or (resid 114 and name HA) (resid 113 and name HN) ! 0.2743 1231:10 ----- 4.88, 5.04 A assign (resid 113 and name HA) (resid 113 and name HN) 2.30 0.50 0.50 ! 0.7662 1232:10 Ambig 2.85, 2.88 A or (resid 110 and name HA) (resid 113 and name HN) ! 0.2152 1232:10 ----- 3.52, 3.84 A assign (resid 36 and name HA) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.7332 1233:10 Ambig 4.26, 4.39 A or (resid 34 and name HA) (resid 20 and name HN) ! 0.2583 1233:10 ----- 5.07, 5.38 A assign (resid 20 and name HA) (resid 20 and name HN) 2.65 0.85 0.85 ! 0.9967 1234:10 Intra 2.85, 2.87 A assign (resid 19 and name HA) (resid 20 and name HN) 3.15 1.35 1.35 ! 0.9634 1235:10 Seq 3.32, 3.41 A assign (resid 18 and name HA) (resid 20 and name HN) 3.15 1.35 1.35 ! 0.9928 1236:10 Mid 3.30, 3.44 A assign (resid 67 and name HD*) (resid 22 and name HN) 3.15 1.35 1.35 ! 0.0000 1237:10 Long 3.53, 4.14 A assign (resid 46 and name HA) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.0000 1238:10 Seq 3.42, 3.46 A assign (resid 100 and name HB2) (resid 101 and name HN) 2.65 0.85 0.85 ! 0.6280 1239:10 Ambig 1.95, 2.96 A or (resid 100 and name HB1) (resid 101 and name HN) ! 0.3718 1239:10 ----- 2.12, 3.53 A assign (resid 35 and name HA) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.0000 1240:10 Long 4.79, 4.95 A assign (resid 40 and name HB1) (resid 41 and name HN) 2.65 0.85 0.85 ! 0.0000 1241:10 Seq 2.36, 2.43 A assign (resid 40 and name HB2) (resid 41 and name HN) 3.15 1.35 1.35 ! 0.9127 1242:10 Seq 3.68, 3.77 A assign (resid 96 and name HA2) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.9717 1243:10 Seq 4.48, 4.51 A assign (resid 93 and name HA) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 1244:10 Mid 4.46, 4.60 A assign (resid 91 and name HA) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.9948 1245:10 Mid 3.53, 3.63 A assign (resid 59 and name HB1) (resid 59 and name HN) 3.15 1.35 1.35 ! 0.9711 1246:10 Intra 3.55, 3.60 A assign (resid 124 and name HB2) (resid 124 and name HN) 2.30 0.50 0.50 ! 0.5235 1247:10 Ambig 2.37, 2.55 A or (resid 124 and name HB1) (resid 124 and name HN) ! 0.4631 1247:10 ----- 2.42, 3.08 A assign (resid 128 and name HB2) (resid 128 and name HN) 2.65 0.85 0.85 ! 0.6547 1248:10 Ambig 2.41, 3.05 A or (resid 128 and name HB1) (resid 128 and name HN) ! 0.3453 1248:10 ----- 2.68, 3.34 A assign (resid 14 and name HB2) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.9955 1249:10 Seq 3.39, 3.92 A assign (resid 100 and name HB2) (resid 102 and name HN) 3.15 1.35 1.35 ! 0.7496 1250:10 Ambig 3.10, 4.12 A or (resid 100 and name HB1) (resid 102 and name HN) ! 0.2504 1250:10 ----- 3.72, 4.71 A assign (resid 53 and name HA) (resid 56 and name HN) 3.15 1.35 1.35 ! 0.9222 1251:10 Mid 3.08, 3.22 A assign (resid 38 and name HB1) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.9937 1252:10 Intra 2.62, 2.78 A assign (resid 50 and name HA) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.0000 1253:10 Mid 3.88, 4.41 A assign (resid 53 and name HA) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.9742 1254:10 Seq 3.35, 3.46 A assign (resid 53 and name HB1) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.9944 1255:10 Seq 3.94, 4.24 A assign (resid 112 and name HA) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.6769 1256:10 Ambig 3.45, 3.50 A or (resid 109 and name HA) (resid 113 and name HN) ! 0.3231 1256:10 ----- 3.90, 4.12 A assign (resid 113 and name HD*) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.9994 1257:10 Intra 2.23, 3.61 A assign (resid 35 and name HA) (resid 20 and name HN) 4.15 2.35 2.35 ! 0.0000 1258:10 Long 5.45, 5.59 A assign (resid 67 and name HD*) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.0000 1259:10 Long 5.55, 5.92 A assign (resid 18 and name HD1) (resid 20 and name HN) 4.15 2.35 2.35 ! 0.6313 1260:10 Ambig 6.31, 6.67 A or (resid 35 and name HD1) (resid 20 and name HN) ! 0.3687 1260:10 ----- 6.90, 7.21 A assign (resid 45 and name HE*) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.3268 1261:10 Ambig 5.54, 6.54 A or (resid 26 and name HB1) (resid 22 and name HN) ! 0.2544 1261:10 ----- 5.77, 5.89 A or (resid 46 and name HE2) (resid 47 and name HN) ! 0.2073 1261:10 ----- 5.98, 6.66 A or (resid 31 and name HE*) (resid 22 and name HN) ! 0.1986 1261:10 ----- 6.02, 8.64 A assign (resid 47 and name HB2) (resid 47 and name HN) 2.30 0.50 0.50 ! 0.0000 1262:10 Intra 2.45, 2.55 A assign (resid 101 and name HB2) (resid 101 and name HN) 2.65 0.85 0.85 ! 0.8695 1263:10 Ambig 2.71, 3.03 A or (resid 101 and name HB1) (resid 101 and name HN) ! 0.1151 1263:10 ----- 3.79, 3.96 A assign (resid 41 and name HB1) (resid 41 and name HN) 3.15 1.35 1.35 ! 0.9800 1264:10 Intra 3.68, 3.73 A assign (resid 41 and name HB2) (resid 41 and name HN) 3.15 1.35 1.35 ! 0.9959 1265:10 Intra 2.52, 2.58 A assign (resid 59 and name HB2) (resid 59 and name HN) 2.65 0.85 0.85 ! 0.0000 1266:10 Intra 2.85, 2.89 A assign (resid 57 and name HB1) (resid 59 and name HN) 3.65 1.85 1.85 ! 0.0000 1267:10 Mid 4.00, 4.10 A assign (resid 14 and name HB1) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.8707 1269:10 Ambig 4.01, 4.31 A or (resid 11 and name HE*) (resid 15 and name HN) ! 0.1201 1269:10 ----- 5.58, 8.23 A assign (resid 37 and name HB2) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.4934 1270:10 Ambig 4.12, 4.95 A or (resid 37 and name HB1) (resid 15 and name HN) ! 0.3249 1270:10 ----- 4.42, 5.19 A or (resid 12 and name HB2) (resid 15 and name HN) ! 0.1363 1270:10 ----- 5.10, 5.63 A assign (resid 129 and name HB*) (resid 130 and name HN) 2.65 0.85 0.85 ! 0.0000 1271:10 Seq 2.19, 3.41 A assign (resid 75 and name HG*) (resid 130 and name HN) 3.65 1.85 1.85 ! 0.5717 1272:10 Ambig 3.27, 9.35 A or (resid 131 and name HG2) (resid 130 and name HN) ! 0.4181 1272:10 ----- 3.45, 4.18 A assign (resid 132 and name HG2) (resid 133 and name HN) 3.15 1.35 1.35 ! 0.8082 1273:10 Ambig 3.18, 4.20 A or (resid 131 and name HG2) (resid 133 and name HN) ! 0.0778 1273:10 ----- 4.70, 5.85 A or (resid 75 and name HG*) (resid 133 and name HN) ! 0.0614 1273:10 ----- 4.89, 9.75 A assign (resid 101 and name HB2) (resid 102 and name HN) 3.15 1.35 1.35 ! 0.8896 1274:10 Ambig 2.57, 3.28 A or (resid 101 and name HB1) (resid 102 and name HN) ! 0.1046 1274:10 ----- 3.67, 4.08 A assign (resid 37 and name HB1) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.9164 1275:10 Seq 2.45, 3.56 A assign (resid 21 and name HB1) (resid 20 and name HN) 4.15 2.35 2.35 ! 0.8183 1276:10 Ambig 6.27, 6.34 A or (resid 41 and name HB1) (resid 20 and name HN) ! 0.1017 1276:10 ----- 8.88, 9.20 A assign (resid 22 and name HB) (resid 22 and name HN) 3.15 1.35 1.35 ! 0.8017 1277:10 Ambig 3.77, 3.81 A or (resid 20 and name HG1) (resid 22 and name HN) ! 0.1310 1277:10 ----- 5.10, 5.63 A assign (resid 45 and name HB2) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.8875 1278:10 Ambig 4.30, 4.53 A or (resid 51 and name HG*) (resid 47 and name HN) ! 0.1009 1278:10 ----- 6.18, 7.21 A assign (resid 45 and name HB1) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.9743 1279:10 Mid 2.79, 2.98 A assign (resid 46 and name HB1) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.9223 1280:10 Seq 2.51, 2.87 A assign (resid 99 and name HB) (resid 101 and name HN) 3.65 1.85 1.85 ! 0.5290 1281:10 Ambig 3.93, 5.45 A or (resid 81 and name HB) (resid 101 and name HN) ! 0.2889 1281:10 ----- 4.34, 5.30 A or (resid 102 and name HB) (resid 101 and name HN) ! 0.0951 1281:10 ----- 5.23, 5.68 A assign (resid 43 and name HG1) (resid 41 and name HN) 4.15 2.35 2.35 ! 0.5894 1282:10 Ambig 6.21, 6.83 A or (resid 36 and name HB1) (resid 41 and name HN) ! 0.4106 1282:10 ----- 6.59, 6.74 A assign (resid 36 and name HG) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.9774 1283:10 Long 4.28, 4.49 A assign (resid 95 and name HG) (resid 95 and name HN) 2.30 0.50 0.50 ! 0.9783 1284:10 Intra 2.53, 2.69 A assign (resid 58 and name HA) (resid 59 and name HN) 3.15 1.35 1.35 ! 0.9974 1285:10 Seq 3.48, 3.51 A assign (resid 57 and name HB2) (resid 59 and name HN) 2.65 0.85 0.85 ! 0.9780 1286:10 Mid 2.77, 2.84 A assign (resid 123 and name HB1) (resid 124 and name HN) 2.65 0.85 0.85 ! 0.9542 1287:10 Seq 2.89, 3.30 A assign (resid 127 and name HG*) (resid 128 and name HN) 3.15 1.35 1.35 ! 0.9994 1288:10 Seq 2.10, 4.28 A assign (resid 127 and name HB1) (resid 128 and name HN) 3.15 1.35 1.35 ! 0.8330 1289:10 Ambig 2.03, 3.30 A or (resid 127 and name HB2) (resid 128 and name HN) ! 0.1618 1289:10 ----- 2.67, 3.99 A assign (resid 132 and name HB1) (resid 133 and name HN) 2.30 0.50 0.50 ! 0.0000 1290:10 Seq 2.09, 2.42 A assign (resid 102 and name HB) (resid 102 and name HN) 3.15 1.35 1.35 ! 0.6769 1291:10 Ambig 3.70, 3.79 A or (resid 81 and name HB) (resid 102 and name HN) ! 0.1891 1291:10 ----- 4.57, 5.16 A or (resid 99 and name HB) (resid 102 and name HN) ! 0.0800 1291:10 ----- 5.28, 6.02 A assign (resid 56 and name HB) (resid 56 and name HN) 2.30 0.50 0.50 ! 0.9893 1292:10 Intra 2.72, 2.78 A assign (resid 56 and name HG12) (resid 56 and name HN) 3.15 1.35 1.35 ! 0.8848 1293:10 Ambig 4.38, 4.41 A or (resid 90 and name HB*) (resid 56 and name HN) ! 0.0711 1293:10 ----- 6.66, 7.75 A assign (resid 36 and name HB1) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.0000 1294:10 Mid 2.76, 2.97 A assign (resid 113 and name HB*) (resid 113 and name HN) 2.30 0.50 0.50 ! 0.9986 1295:10 Intra 2.12, 2.95 A assign (resid 113 and name HG1) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.9817 1296:10 Intra 2.19, 3.64 A assign (resid 20 and name HG1) (resid 20 and name HN) 3.15 1.35 1.35 ! 0.9990 1297:10 Intra 2.91, 3.13 A assign (resid 20 and name HG2) (resid 20 and name HN) 2.65 0.85 0.85 ! 0.7873 1298:10 Ambig 2.34, 2.53 A or (resid 20 and name HB*) (resid 20 and name HN) ! 0.1172 1298:10 ----- 3.22, 3.60 A assign (resid 18 and name HB1) (resid 20 and name HN) 3.15 1.35 1.35 ! 0.9958 1299:10 Mid 3.21, 3.43 A assign (resid 22 and name HG2*) (resid 22 and name HN) 2.30 0.50 0.50 ! 0.8219 1300:10 Ambig 2.23, 3.11 A or (resid 22 and name HG1*) (resid 22 and name HN) ! 0.1520 1300:10 ----- 2.95, 3.86 A assign (resid 46 and name HG2) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.3419 1301:10 Ambig 3.71, 3.99 A or (resid 65 and name HD*) (resid 22 and name HN) ! 0.2327 1301:10 ----- 3.96, 6.14 A or (resid 45 and name HG*) (resid 47 and name HN) ! 0.1874 1301:10 ----- 4.10, 4.76 A or (resid 65 and name HG2) (resid 22 and name HN) ! 0.1449 1301:10 ----- 4.28, 4.91 A assign (resid 99 and name HG1*) (resid 101 and name HN) 3.65 1.85 1.85 ! 0.7420 1302:10 Ambig 4.24, 5.58 A or (resid 88 and name HG2) (resid 101 and name HN) ! 0.2407 1302:10 ----- 5.11, 6.30 A assign (resid 99 and name HG2*) (resid 101 and name HN) 2.65 0.85 0.85 ! 0.9259 1303:10 Mid 1.81, 3.87 A assign (resid 33 and name HD*) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.6614 1304:10 Ambig 5.09, 6.32 A or (resid 33 and name HG1) (resid 41 and name HN) ! 0.3386 1304:10 ----- 5.69, 5.96 A assign (resid 36 and name HD1*) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.9903 1305:10 Long 4.17, 5.19 A assign (resid 94 and name HB2) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.4924 1306:10 Ambig 2.34, 2.51 A or (resid 95 and name HB2) (resid 95 and name HN) ! 0.4826 1306:10 ----- 2.35, 2.41 A assign (resid 95 and name HD2*) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.6696 1307:10 Ambig 3.71, 4.57 A or (resid 111 and name HD2*) (resid 95 and name HN) ! 0.2285 1307:10 ----- 4.44, 5.50 A or (resid 94 and name HD2*) (resid 95 and name HN) ! 0.0921 1307:10 ----- 5.17, 5.73 A assign (resid 95 and name HD1*) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.4419 1308:10 Ambig 3.92, 4.66 A or (resid 91 and name HG2*) (resid 95 and name HN) ! 0.3955 1308:10 ----- 4.00, 4.85 A or (resid 94 and name HD2*) (resid 95 and name HN) ! 0.0847 1308:10 ----- 5.17, 5.73 A assign (resid 58 and name HB1) (resid 59 and name HN) 2.65 0.85 0.85 ! 0.9975 1309:10 Seq 2.52, 2.74 A assign (resid 123 and name HD2*) (resid 124 and name HN) 2.65 0.85 0.85 ! 0.5654 1310:10 Ambig 3.81, 4.68 A or (resid 122 and name HG2*) (resid 124 and name HN) ! 0.4346 1310:10 ----- 3.98, 5.54 A assign (resid 130 and name HG2*) (resid 130 and name HN) 2.65 0.85 0.85 ! 0.9986 1311:10 Intra 2.17, 3.50 A assign (resid 133 and name HG2*) (resid 133 and name HN) 3.15 1.35 1.35 ! 0.7258 1312:10 Ambig 4.27, 4.48 A or (resid 130 and name HG2*) (resid 133 and name HN) ! 0.2742 1312:10 ----- 5.03, 6.36 A assign (resid 102 and name HG2*) (resid 102 and name HN) 2.30 0.50 0.50 ! 0.8206 1313:10 Ambig 2.07, 3.01 A or (resid 99 and name HG2*) (resid 102 and name HN) ! 0.1611 1313:10 ----- 2.72, 4.31 A assign (resid 56 and name HG11) (resid 56 and name HN) 3.15 1.35 1.35 ! 0.7821 1314:10 Ambig 4.51, 4.52 A or (resid 94 and name HG) (resid 56 and name HN) ! 0.1767 1314:10 ----- 5.78, 5.95 A assign (resid 56 and name HG2*) (resid 56 and name HN) 2.65 0.85 0.85 ! 0.9979 1315:10 Intra 1.93, 2.85 A assign (resid 94 and name HD2*) (resid 56 and name HN) 2.65 0.85 0.85 ! 0.8229 1316:10 Ambig 3.75, 4.49 A or (resid 56 and name HD1*) (resid 56 and name HN) ! 0.1396 1316:10 ----- 5.04, 5.45 A assign (resid 36 and name HB2) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.9989 1317:10 Mid 2.74, 2.96 A assign (resid 19 and name HB*) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.5461 1318:10 Ambig 4.52, 5.70 A or (resid 36 and name HD1*) (resid 38 and name HN) ! 0.4539 1318:10 ----- 4.66, 5.31 A assign (resid 112 and name HB1) (resid 113 and name HN) 2.65 0.85 0.85 ! 0.9044 1319:10 Seq 3.40, 3.50 A assign (resid 114 and name HB1) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.7230 1320:10 Ambig 4.45, 4.66 A or (resid 116 and name HG2*) (resid 113 and name HN) ! 0.1582 1320:10 ----- 5.73, 7.26 A or (resid 110 and name HG2) (resid 113 and name HN) ! 0.1188 1320:10 ----- 6.01, 6.46 A assign (resid 114 and name HB2) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.9865 1321:10 Seq 4.35, 4.55 A assign (resid 112 and name HD1*) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.3894 1322:10 Ambig 4.88, 5.58 A or (resid 119 and name HD1*) (resid 113 and name HN) ! 0.3112 1322:10 ----- 5.06, 5.99 A or (resid 112 and name HD2*) (resid 113 and name HN) ! 0.2697 1322:10 ----- 5.19, 5.75 A assign (resid 35 and name HB*) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.9797 1323:10 Long 3.53, 4.68 A assign (resid 18 and name HB2) (resid 20 and name HN) 2.65 0.85 0.85 ! 0.9491 1324:10 Mid 3.05, 3.50 A assign (resid 19 and name HB*) (resid 20 and name HN) 2.65 0.85 0.85 ! 0.9975 1325:10 Seq 2.83, 3.68 A assign (resid 34 and name HD1*) (resid 20 and name HN) 3.15 1.35 1.35 ! 0.6093 1326:10 Ambig 4.08, 5.33 A or (resid 34 and name HG2*) (resid 20 and name HN) ! 0.2335 1326:10 ----- 4.79, 5.58 A or (resid 18 and name HG2) (resid 20 and name HN) ! 0.1403 1326:10 ----- 5.21, 5.68 A assign (resid 66 and name HD1*) (resid 22 and name HN) 3.65 1.85 1.85 ! 0.0000 1327:10 Long 5.41, 5.94 A assign (resid 66 and name HG2*) (resid 22 and name HN) 3.65 1.85 1.85 ! 0.0000 1328:10 Long 5.92, 6.50 A assign (resid 36 and name HD2*) (resid 41 and name HN) 4.15 2.35 2.35 ! 0.0000 1329:10 Long 6.14, 6.87 A assign (resid 94 and name HD1*) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.8379 1330:10 Ambig 4.57, 5.40 A or (resid 103 and name HG2*) (resid 95 and name HN) ! 0.1388 1330:10 ----- 6.17, 7.16 A assign (resid 91 and name HD1*) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 1331:10 Mid 5.56, 6.28 A assign (resid 58 and name HD1*) (resid 59 and name HN) 3.65 1.85 1.85 ! 0.0000 1332:10 Seq 3.78, 4.69 A assign (resid 58 and name HD2*) (resid 59 and name HN) 3.65 1.85 1.85 ! 0.0000 1333:10 Seq 3.97, 5.65 A assign (resid 13 and name HG2*) (resid 15 and name HN) 4.15 2.35 2.35 ! 0.0000 1334:10 Mid 4.76, 5.72 A assign (resid 52 and name HD1*) (resid 56 and name HN) 3.15 1.35 1.35 ! 0.8360 1335:10 Ambig 4.10, 5.35 A or (resid 94 and name HD1*) (resid 56 and name HN) ! 0.0954 1335:10 ----- 5.88, 6.85 A assign (resid 36 and name HD2*) (resid 38 and name HN) 3.65 1.85 1.85 ! 0.0000 1336:10 Mid 5.14, 5.97 A assign (resid 28 and name HD2*) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.4614 1337:10 Ambig 5.36, 6.99 A or (resid 52 and name HD1*) (resid 54 and name HN) ! 0.3613 1337:10 ----- 5.59, 6.69 A or (resid 52 and name HD2*) (resid 54 and name HN) ! 0.1417 1337:10 ----- 6.53, 7.27 A assign (resid 28 and name HD1*) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.5160 1338:10 Ambig 5.65, 7.15 A or (resid 24 and name HG2*) (resid 54 and name HN) ! 0.4840 1338:10 ----- 5.71, 6.45 A assign (resid 108 and name HG1*) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.6865 1339:10 Ambig 6.18, 7.24 A or (resid 119 and name HG2*) (resid 113 and name HN) ! 0.3135 1339:10 ----- 7.04, 8.14 A assign (resid 36 and name HD2*) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.0000 1342:10 Long 5.07, 6.22 A assign (resid 63 and name HD1*) (resid 59 and name HN) 3.65 1.85 1.85 ! 0.0000 1344:10 Mid 5.83, 6.81 A assign (resid 117 and name HN) (resid 116 and name HN) 3.15 1.35 1.35 ! 0.0000 1345:10 Seq 2.50, 2.55 A assign (resid 61 and name HE1) (resid 53 and name HN) 4.15 2.35 2.35 ! 0.0000 1346:10 Long 5.39, 5.82 A assign (resid 22 and name HN) (resid 21 and name HN) 3.65 1.85 1.85 ! 0.0000 1347:10 Seq 4.29, 4.34 A assign (resid 112 and name HN) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.0000 1348:10 Mid 3.85, 3.98 A assign (resid 52 and name HN) (resid 53 and name HN) 2.65 0.85 0.85 ! 0.9975 1349:10 Seq 2.62, 2.75 A assign (resid 15 and name HN) (resid 16 and name HN) 2.30 0.50 0.50 ! 0.9674 1350:10 Seq 2.25, 2.55 A assign (resid 115 and name HN) (resid 116 and name HN) 3.15 1.35 1.35 ! 0.0000 1351:10 Seq 3.63, 3.72 A assign (resid 115 and name HN) (resid 114 and name HN) 2.30 0.50 0.50 ! 0.0000 1353:10 Seq 2.22, 2.33 A assign (resid 37 and name HN) (resid 37 and name HD22) 3.65 1.85 1.85 ! 0.9859 1354:10 Intra 3.68, 4.44 A assign (resid 51 and name HN) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.9933 1355:10 Mid 4.16, 4.32 A assign (resid 55 and name HN) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.0000 1356:10 Mid 4.10, 4.18 A assign (resid 54 and name HN) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.9584 1357:10 Seq 2.66, 2.76 A assign (resid 113 and name HN) (resid 114 and name HN) 2.65 0.85 0.85 ! 0.0000 1359:10 Seq 2.25, 2.40 A assign (resid 115 and name HD*) (resid 53 and name HN) 4.15 2.35 2.35 ! 0.4164 1364:10 Ambig 6.32, 7.88 A or (resid 55 and name HE) (resid 53 and name HN) ! 0.2971 1364:10 ----- 6.69, 7.84 A or (resid 61 and name HE3) (resid 53 and name HN) ! 0.1641 1364:10 ----- 7.39, 7.58 A or (resid 48 and name HN) (resid 53 and name HN) ! 0.1224 1364:10 ----- 7.76, 7.85 A assign (resid 115 and name HE*) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.9197 1365:10 Long 4.98, 6.72 A assign (resid 107 and name HN) (resid 106 and name HN) 3.15 1.35 1.35 ! 0.0000 1366:10 Seq 2.63, 2.70 A assign (resid 20 and name HN) (resid 21 and name HN) 3.65 1.85 1.85 ! 0.9716 1367:10 Seq 4.23, 4.27 A assign (resid 21 and name HD*) (resid 21 and name HN) 2.65 0.85 0.85 ! 0.0000 1368:10 Intra 3.03, 3.95 A assign (resid 21 and name HE*) (resid 21 and name HN) 3.65 1.85 1.85 ! 0.0000 1369:10 Intra 4.90, 5.58 A assign (resid 104 and name HA) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 1375:10 Mid 4.20, 4.33 A assign (resid 21 and name HA) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.9378 1377:10 Intra 2.92, 2.93 A assign (resid 115 and name HA) (resid 116 and name HN) 3.15 1.35 1.35 ! 0.0000 1378:10 Seq 2.20, 2.27 A assign (resid 52 and name HA) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.7810 1380:10 Ambig 3.53, 3.55 A or (resid 51 and name HA) (resid 53 and name HN) ! 0.2170 1380:10 ----- 4.36, 4.55 A assign (resid 105 and name HA) (resid 106 and name HN) 3.15 1.35 1.35 ! 0.0000 1383:10 Seq 3.46, 3.50 A assign (resid 136 and name HA) (resid 136 and name HN) 2.30 0.50 0.50 ! 0.6120 1384:10 Ambig 2.80, 2.82 A or (resid 135 and name HA) (resid 136 and name HN) ! 0.1754 1384:10 ----- 3.44, 3.52 A or (resid 132 and name HA) (resid 136 and name HN) ! 0.1229 1384:10 ----- 3.66, 4.21 A assign (resid 106 and name HA) (resid 106 and name HN) 2.30 0.50 0.50 ! 0.9989 1385:10 Intra 2.77, 2.80 A assign (resid 136 and name HB*) (resid 136 and name HN) 2.30 0.50 0.50 ! 0.0000 1386:10 Intra 2.39, 3.00 A assign (resid 125 and name HA) (resid 126 and name HN) 2.65 0.85 0.85 ! 0.9982 1388:10 Seq 2.12, 3.24 A assign (resid 126 and name HA) (resid 126 and name HN) 2.65 0.85 0.85 ! 0.9287 1389:10 Intra 2.67, 2.87 A assign (resid 126 and name HB) (resid 126 and name HN) 3.15 1.35 1.35 ! 0.9598 1390:10 Intra 2.42, 2.90 A assign (resid 20 and name HA) (resid 21 and name HN) 2.30 0.50 0.50 ! 0.0000 1391:10 Seq 2.17, 2.35 A assign (resid 16 and name HA) (resid 16 and name HN) 2.65 0.85 0.85 ! 0.9002 1392:10 Intra 2.88, 2.90 A assign (resid 15 and name HB*) (resid 16 and name HN) 2.65 0.85 0.85 ! 0.7397 1393:10 Ambig 2.68, 3.59 A or (resid 16 and name HB1) (resid 16 and name HN) ! 0.1344 1393:10 ----- 3.56, 3.60 A or (resid 13 and name HA) (resid 16 and name HN) ! 0.1259 1393:10 ----- 3.60, 4.90 A assign (resid 105 and name HA) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.0000 1394:10 Intra 3.89, 4.21 A assign (resid 77 and name HA1) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.0000 1395:10 Long 3.76, 4.64 A assign (resid 116 and name HB) (resid 116 and name HN) 2.65 0.85 0.85 ! 0.9820 1399:10 Intra 2.50, 2.57 A assign (resid 116 and name HA) (resid 116 and name HN) 2.65 0.85 0.85 ! 0.9429 1400:10 Intra 2.86, 2.88 A assign (resid 15 and name HA) (resid 37 and name HD21) 3.15 1.35 1.35 ! 0.8171 1401:10 Ambig 2.18, 3.76 A or (resid 37 and name HA) (resid 37 and name HD21) ! 0.1209 1401:10 ----- 3.00, 3.94 A assign (resid 127 and name HA) (resid 127 and name HE) 4.15 2.35 2.35 ! 0.9263 1404:10 Intra 3.49, 4.90 A assign (resid 39 and name HA) (resid 39 and name HD21) 3.15 1.35 1.35 ! 0.9998 1405:10 Intra 1.91, 3.22 A assign (resid 110 and name HA) (resid 113 and name HE) 3.65 1.85 1.85 ! 0.6430 1406:10 Ambig 3.68, 5.47 A or (resid 113 and name HA) (resid 113 and name HE) ! 0.3160 1406:10 ----- 4.14, 4.61 A assign (resid 114 and name HA) (resid 114 and name HN) 2.65 0.85 0.85 ! 0.9980 1407:10 Intra 2.85, 2.90 A assign (resid 113 and name HA) (resid 114 and name HN) 3.15 1.35 1.35 ! 0.7857 1408:10 Ambig 3.27, 3.37 A or (resid 110 and name HA) (resid 114 and name HN) ! 0.1566 1408:10 ----- 4.28, 4.68 A assign (resid 55 and name HA) (resid 55 and name HE) 3.65 1.85 1.85 ! 0.0000 1410:10 Intra 3.92, 4.58 A assign (resid 77 and name HA1) (resid 105 and name HD22) 3.65 1.85 1.85 ! 0.0000 1411:10 Long 4.79, 5.37 A assign (resid 39 and name HA) (resid 39 and name HD22) 3.65 1.85 1.85 ! 0.0000 1413:10 Intra 3.54, 3.92 A assign (resid 19 and name HA) (resid 37 and name HD22) 3.15 1.35 1.35 ! 0.8743 1415:10 Ambig 2.29, 3.84 A or (resid 15 and name HA) (resid 37 and name HD22) ! 0.0908 1415:10 ----- 3.33, 4.94 A assign (resid 50 and name HA) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.0000 1416:10 Mid 3.22, 3.51 A assign (resid 53 and name HA) (resid 53 and name HN) 2.65 0.85 0.85 ! 0.8737 1417:10 Ambig 2.75, 2.78 A or (resid 49 and name HA) (resid 53 and name HN) ! 0.1255 1417:10 ----- 3.80, 3.89 A assign (resid 53 and name HB1) (resid 53 and name HN) 2.65 0.85 0.85 ! 0.9980 1418:10 Intra 2.59, 2.72 A assign (resid 125 and name HD*) (resid 126 and name HN) 3.15 1.35 1.35 ! 0.0000 1419:10 Seq 2.53, 3.71 A assign (resid 87 and name HB1) (resid 87 and name HD21) 3.15 1.35 1.35 ! 0.6362 1420:10 Ambig 2.18, 2.34 A or (resid 86 and name HB2) (resid 87 and name HD21) ! 0.3423 1420:10 ----- 2.42, 5.98 A assign (resid 67 and name HD*) (resid 21 and name HN) 3.65 1.85 1.85 ! 0.0000 1421:10 Long 5.92, 6.17 A assign (resid 14 and name HB2) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.7641 1422:10 Ambig 5.26, 5.67 A or (resid 18 and name HD1) (resid 16 and name HN) ! 0.1928 1422:10 ----- 6.61, 6.87 A assign (resid 100 and name HB2) (resid 101 and name HD21) 3.65 1.85 1.85 ! 0.5497 1423:10 Ambig 3.13, 4.45 A or (resid 100 and name HB1) (resid 101 and name HD21) ! 0.4461 1423:10 ----- 3.24, 5.12 A assign (resid 112 and name HA) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.9324 1424:10 Mid 4.96, 5.10 A assign (resid 115 and name HB1) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.9731 1425:10 Seq 3.95, 4.01 A assign (resid 17 and name HB*) (resid 37 and name HD21) 3.15 1.35 1.35 ! 0.9982 1426:10 Long 2.29, 3.71 A assign (resid 113 and name HD*) (resid 113 and name HE) 2.30 0.50 0.50 ! 0.0000 1427:10 Intra 2.29, 2.74 A assign (resid 127 and name HD*) (resid 127 and name HE) 2.30 0.50 0.50 ! 0.0000 1428:10 Intra 2.24, 2.68 A assign (resid 112 and name HA) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.0000 1429:10 Mid 3.92, 4.10 A assign (resid 113 and name HD*) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.8690 1430:10 Ambig 4.30, 5.40 A or (resid 115 and name HB1) (resid 114 and name HN) ! 0.1175 1430:10 ----- 6.01, 6.11 A assign (resid 55 and name HD*) (resid 55 and name HE) 2.65 0.85 0.85 ! 0.0000 1431:10 Intra 2.41, 2.76 A assign (resid 77 and name HA2) (resid 105 and name HD22) 4.15 2.35 2.35 ! 0.9685 1432:10 Long 5.17, 5.89 A assign (resid 100 and name HB2) (resid 101 and name HD22) 3.65 1.85 1.85 ! 0.7024 1433:10 Ambig 3.92, 5.16 A or (resid 100 and name HB1) (resid 101 and name HD22) ! 0.2757 1433:10 ----- 4.59, 5.77 A assign (resid 17 and name HB*) (resid 37 and name HD22) 3.65 1.85 1.85 ! 0.9993 1434:10 Long 2.40, 4.57 A assign (resid 14 and name HB2) (resid 37 and name HD22) 4.15 2.35 2.35 ! 0.8666 1435:10 Ambig 3.87, 4.88 A or (resid 18 and name HD1) (resid 37 and name HD22) ! 0.0817 1435:10 ----- 5.74, 7.23 A assign (resid 53 and name HB2) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.9989 1436:10 Intra 2.62, 3.50 A assign (resid 105 and name HB*) (resid 106 and name HN) 2.65 0.85 0.85 ! 0.9902 1437:10 Seq 2.40, 3.39 A assign (resid 107 and name HB2) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 1438:10 Seq 4.77, 4.86 A assign (resid 132 and name HG2) (resid 136 and name HN) 3.15 1.35 1.35 ! 0.3409 1439:10 Ambig 3.98, 5.28 A or (resid 137 and name HG2) (resid 136 and name HN) ! 0.3024 1439:10 ----- 4.06, 4.85 A or (resid 132 and name HG1) (resid 136 and name HN) ! 0.2458 1439:10 ----- 4.20, 5.65 A or (resid 134 and name HG1) (resid 136 and name HN) ! 0.0618 1439:10 ----- 5.29, 5.91 A assign (resid 87 and name HB2) (resid 87 and name HD21) 3.15 1.35 1.35 ! 0.8591 1440:10 Ambig 2.91, 3.19 A or (resid 68 and name HB1) (resid 87 and name HD21) ! 0.1409 1440:10 ----- 3.93, 4.45 A assign (resid 14 and name HB1) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.8377 1442:10 Ambig 5.12, 5.32 A or (resid 120 and name HB1) (resid 16 and name HN) ! 0.1623 1442:10 ----- 6.73, 7.65 A assign (resid 21 and name HB1) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.8948 1443:10 Ambig 3.74, 3.79 A or (resid 65 and name HE*) (resid 21 and name HN) ! 0.1052 1443:10 ----- 5.34, 6.65 A assign (resid 21 and name HB2) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.9972 1444:10 Intra 2.65, 2.74 A assign (resid 37 and name HB1) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.4598 1445:10 Ambig 4.32, 5.65 A or (resid 37 and name HB2) (resid 16 and name HN) ! 0.3733 1445:10 ----- 4.47, 5.07 A or (resid 38 and name HB2) (resid 16 and name HN) ! 0.0714 1445:10 ----- 5.89, 6.49 A assign (resid 105 and name HB*) (resid 105 and name HD21) 2.65 0.85 0.85 ! 0.9998 1446:10 Intra 2.09, 2.68 A assign (resid 109 and name HG1) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.9984 1447:10 Mid 2.87, 3.87 A assign (resid 101 and name HB2) (resid 101 and name HD21) 2.65 0.85 0.85 ! 0.5451 1448:10 Ambig 2.18, 2.70 A or (resid 101 and name HB1) (resid 101 and name HD21) ! 0.4375 1448:10 ----- 2.26, 3.13 A assign (resid 115 and name HB2) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.0000 1449:10 Seq 4.29, 4.34 A assign (resid 48 and name HG1) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.9949 1450:10 Long 3.07, 4.47 A assign (resid 48 and name HG2) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.0000 1451:10 Long 3.95, 4.08 A assign (resid 37 and name HB2) (resid 37 and name HD21) 2.65 0.85 0.85 ! 0.5177 1452:10 Ambig 2.12, 2.27 A or (resid 37 and name HB1) (resid 37 and name HD21) ! 0.4785 1452:10 ----- 2.15, 3.13 A assign (resid 87 and name HB2) (resid 87 and name HD22) 3.15 1.35 1.35 ! 0.8639 1453:10 Ambig 3.78, 3.91 A or (resid 68 and name HB1) (resid 87 and name HD22) ! 0.1361 1453:10 ----- 5.14, 5.59 A assign (resid 115 and name HB2) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.7391 1455:10 Ambig 4.88, 4.99 A or (resid 51 and name HE*) (resid 114 and name HN) ! 0.2609 1455:10 ----- 5.80, 7.29 A assign (resid 105 and name HB*) (resid 105 and name HD22) 3.15 1.35 1.35 ! 0.0000 1456:10 Intra 3.38, 3.68 A assign (resid 109 and name HG1) (resid 105 and name HD22) 3.65 1.85 1.85 ! 0.9986 1457:10 Mid 2.93, 3.67 A assign (resid 101 and name HB2) (resid 101 and name HD22) 3.15 1.35 1.35 ! 0.4484 1458:10 Ambig 3.45, 3.70 A or (resid 101 and name HB1) (resid 101 and name HD22) ! 0.4154 1458:10 ----- 3.49, 3.89 A or (resid 88 and name HE2) (resid 101 and name HD22) ! 0.1321 1458:10 ----- 4.23, 5.55 A assign (resid 35 and name HD2) (resid 39 and name HD22) 3.15 1.35 1.35 ! 0.6610 1459:10 Ambig 3.09, 4.33 A or (resid 39 and name HB1) (resid 39 and name HD22) ! 0.3390 1459:10 ----- 3.45, 3.73 A assign (resid 37 and name HB1) (resid 37 and name HD22) 3.15 1.35 1.35 ! 0.4692 1460:10 Ambig 3.40, 3.88 A or (resid 37 and name HB2) (resid 37 and name HD22) ! 0.4682 1460:10 ----- 3.40, 3.48 A assign (resid 50 and name HB*) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.5351 1461:10 Ambig 5.34, 5.65 A or (resid 51 and name HB*) (resid 53 and name HN) ! 0.3270 1461:10 ----- 5.80, 6.07 A or (resid 55 and name HB1) (resid 53 and name HN) ! 0.0989 1461:10 ----- 7.08, 7.28 A assign (resid 52 and name HB1) (resid 53 and name HN) 2.65 0.85 0.85 ! 0.9978 1462:10 Seq 2.22, 2.29 A assign (resid 52 and name HB2) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.9758 1463:10 Seq 3.67, 3.72 A assign (resid 106 and name HB) (resid 106 and name HN) 2.30 0.50 0.50 ! 0.0000 1464:10 Intra 2.42, 2.56 A assign (resid 104 and name HB1) (resid 106 and name HN) 2.65 0.85 0.85 ! 0.7659 1465:10 Ambig 2.54, 2.70 A or (resid 104 and name HB2) (resid 106 and name HN) ! 0.2322 1465:10 ----- 3.10, 3.35 A assign (resid 135 and name HB*) (resid 136 and name HN) 2.30 0.50 0.50 ! 0.9148 1466:10 Seq 2.44, 3.15 A assign (resid 125 and name HB1) (resid 126 and name HN) 3.65 1.85 1.85 ! 0.9458 1467:10 Seq 3.91, 4.31 A assign (resid 125 and name HG*) (resid 126 and name HN) 3.15 1.35 1.35 ! 0.7039 1468:10 Ambig 2.24, 4.18 A or (resid 125 and name HB2) (resid 126 and name HN) ! 0.2960 1468:10 ----- 2.59, 3.51 A assign (resid 127 and name HB1) (resid 126 and name HN) 4.15 2.35 2.35 ! 0.0000 1469:10 Seq 3.95, 5.69 A assign (resid 65 and name HB1) (resid 87 and name HD21) 4.15 2.35 2.35 ! 0.5283 1470:10 Ambig 5.77, 6.01 A or (resid 24 and name HG11) (resid 87 and name HD21) ! 0.2452 1470:10 ----- 6.55, 7.55 A or (resid 60 and name HB2) (resid 87 and name HD21) ! 0.1164 1470:10 ----- 7.42, 9.95 A or (resid 88 and name HD2) (resid 87 and name HD21) ! 0.1100 1470:10 ----- 7.49, 8.23 A assign (resid 20 and name HG1) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.9795 1471:10 Seq 3.46, 3.83 A assign (resid 20 and name HB*) (resid 21 and name HN) 2.30 0.50 0.50 ! 0.9734 1472:10 Seq 2.33, 3.23 A assign (resid 106 and name HB) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.0000 1473:10 Seq 3.95, 4.52 A assign (resid 108 and name HB) (resid 105 and name HD21) 4.15 2.35 2.35 ! 0.8280 1474:10 Ambig 5.20, 5.90 A or (resid 104 and name HG) (resid 105 and name HD21) ! 0.0833 1474:10 ----- 7.63, 8.69 A assign (resid 48 and name HB1) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.8245 1478:10 Ambig 3.51, 3.91 A or (resid 48 and name HB2) (resid 116 and name HN) ! 0.1755 1478:10 ----- 4.54, 4.67 A assign (resid 118 and name HG) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.8913 1479:10 Ambig 4.19, 4.34 A or (resid 113 and name HB*) (resid 116 and name HN) ! 0.0475 1479:10 ----- 6.82, 7.53 A assign (resid 51 and name HD*) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.5393 1480:10 Ambig 4.68, 6.96 A or (resid 118 and name HB2) (resid 116 and name HN) ! 0.2971 1480:10 ----- 5.17, 5.31 A or (resid 45 and name HD*) (resid 116 and name HN) ! 0.1055 1480:10 ----- 6.14, 6.92 A assign (resid 45 and name HB2) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.4602 1481:10 Ambig 5.20, 5.47 A or (resid 119 and name HB) (resid 116 and name HN) ! 0.2496 1481:10 ----- 5.75, 5.93 A or (resid 51 and name HG*) (resid 116 and name HN) ! 0.1053 1481:10 ----- 6.64, 7.45 A or (resid 113 and name HG1) (resid 116 and name HN) ! 0.0795 1481:10 ----- 6.96, 7.67 A or (resid 119 and name HG12) (resid 116 and name HN) ! 0.0701 1481:10 ----- 7.11, 7.30 A assign (resid 109 and name HG2) (resid 113 and name HE) 4.15 2.35 2.35 ! 0.0000 1482:10 Mid 4.20, 5.45 A assign (resid 113 and name HB*) (resid 113 and name HE) 2.65 0.85 0.85 ! 0.5926 1483:10 Ambig 2.17, 4.03 A or (resid 113 and name HG2) (resid 113 and name HE) ! 0.4074 1483:10 ----- 2.31, 2.77 A assign (resid 127 and name HB2) (resid 127 and name HE) 3.15 1.35 1.35 ! 0.0000 1484:10 Intra 2.28, 3.79 A assign (resid 113 and name HG1) (resid 113 and name HE) 3.15 1.35 1.35 ! 0.9897 1485:10 Intra 2.36, 2.89 A assign (resid 127 and name HG*) (resid 127 and name HE) 3.15 1.35 1.35 ! 0.9575 1486:10 Intra 2.29, 3.10 A assign (resid 113 and name HB*) (resid 114 and name HN) 2.65 0.85 0.85 ! 0.8836 1487:10 Ambig 2.96, 3.57 A or (resid 114 and name HG2) (resid 114 and name HN) ! 0.0705 1487:10 ----- 4.50, 4.63 A assign (resid 113 and name HG1) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.7698 1488:10 Ambig 4.32, 4.95 A or (resid 112 and name HG) (resid 114 and name HN) ! 0.1219 1488:10 ----- 5.87, 6.05 A or (resid 110 and name HG1) (resid 114 and name HN) ! 0.0368 1488:10 ----- 7.16, 7.47 A assign (resid 55 and name HB1) (resid 55 and name HE) 3.65 1.85 1.85 ! 0.9430 1489:10 Intra 1.90, 3.47 A assign (resid 55 and name HG2) (resid 55 and name HE) 2.65 0.85 0.85 ! 0.8229 1490:10 Ambig 2.35, 2.50 A or (resid 55 and name HB2) (resid 55 and name HE) ! 0.1760 1490:10 ----- 3.05, 3.90 A assign (resid 109 and name HG2) (resid 105 and name HD22) 3.65 1.85 1.85 ! 0.9916 1491:10 Mid 3.61, 4.45 A assign (resid 106 and name HB) (resid 105 and name HD22) 3.65 1.85 1.85 ! 0.7760 1492:10 Ambig 3.71, 5.40 A or (resid 109 and name HB*) (resid 105 and name HD22) ! 0.2145 1492:10 ----- 4.60, 5.76 A assign (resid 52 and name HG) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.9854 1494:10 Seq 3.26, 3.37 A assign (resid 56 and name HG2*) (resid 53 and name HN) 4.15 2.35 2.35 ! 0.0000 1495:10 Mid 3.80, 4.62 A assign (resid 49 and name HG1*) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.7798 1496:10 Ambig 3.82, 4.77 A or (resid 24 and name HG12) (resid 53 and name HN) ! 0.0809 1496:10 ----- 5.57, 5.74 A or (resid 49 and name HG2*) (resid 53 and name HN) ! 0.0457 1496:10 ----- 6.12, 6.67 A assign (resid 106 and name HG1*) (resid 106 and name HN) 2.30 0.50 0.50 ! 0.9798 1497:10 Intra 2.01, 3.01 A assign (resid 65 and name HB2) (resid 87 and name HD21) 3.65 1.85 1.85 ! 0.5956 1498:10 Ambig 4.25, 4.93 A or (resid 88 and name HG1) (resid 87 and name HD21) ! 0.1319 1498:10 ----- 5.46, 5.94 A or (resid 65 and name HD*) (resid 87 and name HD21) ! 0.1004 1498:10 ----- 5.71, 7.59 A or (resid 85 and name HG2) (resid 87 and name HD21) ! 0.0685 1498:10 ----- 6.09, 9.25 A or (resid 65 and name HG2) (resid 87 and name HD21) ! 0.0541 1498:10 ----- 6.33, 7.47 A assign (resid 126 and name HG2*) (resid 126 and name HN) 3.15 1.35 1.35 ! 0.9991 1500:10 Intra 1.94, 3.67 A assign (resid 64 and name HG1*) (resid 87 and name HD21) 3.15 1.35 1.35 ! 0.9790 1502:10 Long 2.23, 4.15 A assign (resid 65 and name HD*) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.7294 1503:10 Ambig 4.10, 5.36 A or (resid 65 and name HG2) (resid 21 and name HN) ! 0.1777 1503:10 ----- 5.18, 5.61 A assign (resid 36 and name HD1*) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.6567 1504:10 Ambig 4.94, 6.28 A or (resid 122 and name HG2*) (resid 16 and name HN) ! 0.2861 1504:10 ----- 5.67, 7.30 A assign (resid 34 and name HG2*) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.5129 1505:10 Ambig 4.36, 5.37 A or (resid 22 and name HG1*) (resid 21 and name HN) ! 0.3845 1505:10 ----- 4.57, 5.66 A or (resid 22 and name HG2*) (resid 21 and name HN) ! 0.0721 1505:10 ----- 6.04, 6.97 A assign (resid 106 and name HG1*) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.4434 1506:10 Ambig 5.11, 6.37 A or (resid 106 and name HG2*) (resid 105 and name HD21) ! 0.3576 1506:10 ----- 5.30, 6.52 A or (resid 104 and name HD1*) (resid 105 and name HD21) ! 0.1544 1506:10 ----- 6.10, 8.17 A assign (resid 99 and name HG2*) (resid 101 and name HD21) 3.65 1.85 1.85 ! 0.9156 1508:10 Mid 4.43, 6.05 A assign (resid 116 and name HG2*) (resid 116 and name HN) 3.15 1.35 1.35 ! 0.0000 1509:10 Intra 4.28, 4.54 A assign (resid 119 and name HD1*) (resid 116 and name HN) 3.15 1.35 1.35 ! 0.3111 1510:10 Ambig 5.51, 6.50 A or (resid 118 and name HD1*) (resid 116 and name HN) ! 0.2547 1510:10 ----- 5.69, 6.37 A or (resid 118 and name HD2*) (resid 116 and name HN) ! 0.2376 1510:10 ----- 5.76, 6.48 A or (resid 112 and name HD2*) (resid 116 and name HN) ! 0.1385 1510:10 ----- 6.30, 7.16 A assign (resid 19 and name HB*) (resid 37 and name HD21) 3.65 1.85 1.85 ! 0.9740 1511:10 Long 3.55, 5.32 A assign (resid 64 and name HG2*) (resid 87 and name HD22) 3.65 1.85 1.85 ! 0.7879 1513:10 Ambig 3.88, 6.16 A or (resid 63 and name HB1) (resid 87 and name HD22) ! 0.1123 1513:10 ----- 5.37, 8.17 A assign (resid 64 and name HG1*) (resid 87 and name HD22) 2.65 0.85 0.85 ! 0.9322 1514:10 Long 2.83, 4.02 A assign (resid 114 and name HB1) (resid 114 and name HN) 2.65 0.85 0.85 ! 0.9959 1519:10 Intra 2.39, 2.51 A assign (resid 114 and name HB2) (resid 114 and name HN) 2.65 0.85 0.85 ! 0.0000 1520:10 Intra 2.48, 2.61 A assign (resid 119 and name HD1*) (resid 114 and name HN) 3.15 1.35 1.35 ! 0.4272 1521:10 Ambig 4.91, 5.81 A or (resid 111 and name HD2*) (resid 114 and name HN) ! 0.3076 1521:10 ----- 5.19, 6.26 A or (resid 112 and name HD2*) (resid 114 and name HN) ! 0.1371 1521:10 ----- 5.93, 6.89 A or (resid 95 and name HD2*) (resid 114 and name HN) ! 0.0514 1521:10 ----- 6.99, 8.11 A assign (resid 93 and name HG2*) (resid 55 and name HE) 4.15 2.35 2.35 ! 0.7604 1522:10 Ambig 5.25, 8.43 A or (resid 56 and name HG2*) (resid 55 and name HE) ! 0.1404 1522:10 ----- 6.96, 8.55 A assign (resid 94 and name HD2*) (resid 55 and name HE) 3.65 1.85 1.85 ! 0.9904 1523:10 Long 3.01, 5.36 A assign (resid 106 and name HG1*) (resid 105 and name HD22) 3.65 1.85 1.85 ! 0.4694 1524:10 Ambig 4.99, 7.32 A or (resid 106 and name HG2*) (resid 105 and name HD22) ! 0.3370 1524:10 ----- 5.28, 7.16 A or (resid 104 and name HD1*) (resid 105 and name HD22) ! 0.1087 1524:10 ----- 6.37, 9.26 A assign (resid 99 and name HG2*) (resid 101 and name HD22) 3.65 1.85 1.85 ! 0.8948 1525:10 Ambig 5.43, 6.76 A or (resid 81 and name HG2*) (resid 101 and name HD22) ! 0.1052 1525:10 ----- 7.76, 8.98 A assign (resid 19 and name HB*) (resid 37 and name HD22) 3.65 1.85 1.85 ! 0.9937 1526:10 Long 3.41, 5.28 A assign (resid 69 and name HD1*) (resid 37 and name HD22) 4.15 2.35 2.35 ! 0.3904 1527:10 Ambig 6.52, 9.06 A or (resid 122 and name HD1*) (resid 37 and name HD22) ! 0.3707 1527:10 ----- 6.57, 8.49 A or (resid 35 and name HG*) (resid 37 and name HD22) ! 0.2388 1527:10 ----- 7.07, 9.02 A assign (resid 28 and name HD2*) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.4391 1528:10 Ambig 3.93, 5.55 A or (resid 52 and name HD2*) (resid 53 and name HN) ! 0.3822 1528:10 ----- 4.02, 4.86 A or (resid 52 and name HD1*) (resid 53 and name HN) ! 0.1502 1528:10 ----- 4.70, 5.27 A assign (resid 24 and name HD1*) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.9844 1529:10 Long 4.69, 5.80 A assign (resid 24 and name HG2*) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.7235 1530:10 Ambig 3.75, 4.27 A or (resid 28 and name HD1*) (resid 53 and name HN) ! 0.2621 1530:10 ----- 4.44, 5.93 A assign (resid 108 and name HG2*) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 1531:10 Mid 5.15, 6.28 A assign (resid 66 and name HG2*) (resid 87 and name HD21) 4.15 2.35 2.35 ! 0.7186 1532:10 Ambig 4.04, 5.67 A or (resid 91 and name HD1*) (resid 87 and name HD21) ! 0.2814 1532:10 ----- 4.73, 6.59 A assign (resid 119 and name HG2*) (resid 116 and name HN) 4.15 2.35 2.35 ! 0.4581 1533:10 Ambig 7.75, 8.32 A or (resid 52 and name HD2*) (resid 116 and name HN) ! 0.2857 1533:10 ----- 8.38, 9.56 A or (resid 52 and name HD1*) (resid 116 and name HN) ! 0.2562 1533:10 ----- 8.54, 9.77 A assign (resid 66 and name HG2*) (resid 87 and name HD22) 4.15 2.35 2.35 ! 0.9327 1534:10 Long 4.10, 5.29 A assign (resid 119 and name HG2*) (resid 114 and name HN) 4.15 2.35 2.35 ! 0.3598 1535:10 Ambig 7.42, 8.62 A or (resid 108 and name HG1*) (resid 114 and name HN) ! 0.2689 1535:10 ----- 7.79, 8.62 A or (resid 94 and name HD1*) (resid 114 and name HN) ! 0.2203 1535:10 ----- 8.05, 9.19 A or (resid 52 and name HD1*) (resid 114 and name HN) ! 0.1510 1535:10 ----- 8.57, 9.71 A assign (resid 27 and name HN) (resid 23 and name HN) 3.15 1.35 1.35 ! 0.9684 1536:10 Mid 3.90, 4.04 A assign (resid 26 and name HN) (resid 23 and name HN) 3.15 1.35 1.35 ! 0.9880 1537:10 Mid 3.04, 3.17 A assign (resid 24 and name HN) (resid 23 and name HN) 3.65 1.85 1.85 ! 0.9328 1538:10 Seq 4.43, 4.48 A assign (resid 76 and name HN) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.0000 1539:10 Seq 4.40, 4.47 A assign (resid 78 and name HN) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.9963 1540:10 Seq 3.26, 3.43 A assign (resid 41 and name HE*) (resid 35 and name HE) 2.65 0.85 0.85 ! 0.0000 1541:10 Long 2.51, 4.46 A assign (resid 23 and name HA) (resid 23 and name HN) 3.65 1.85 1.85 ! 0.0000 1544:10 Intra 2.87, 2.88 A assign (resid 22 and name HA) (resid 23 and name HN) 2.30 0.50 0.50 ! 0.9975 1545:10 Seq 2.31, 2.37 A assign (resid 26 and name HA) (resid 23 and name HN) 3.65 1.85 1.85 ! 0.8050 1546:10 Ambig 4.48, 4.59 A or (resid 27 and name HA) (resid 23 and name HN) ! 0.1576 1546:10 ----- 5.87, 6.09 A assign (resid 76 and name HA) (resid 77 and name HN) 2.30 0.50 0.50 ! 0.5345 1548:10 Ambig 2.20, 2.31 A or (resid 77 and name HA1) (resid 77 and name HN) ! 0.4655 1548:10 ----- 2.25, 2.32 A assign (resid 39 and name HA) (resid 35 and name HE) 3.65 1.85 1.85 ! 0.9721 1551:10 Mid 4.05, 4.94 A assign (resid 25 and name HA) (resid 23 and name HN) 4.15 2.35 2.35 ! 0.5528 1552:10 Ambig 6.50, 6.62 A or (resid 62 and name HB2) (resid 23 and name HN) ! 0.3781 1552:10 ----- 6.93, 7.71 A assign (resid 77 and name HA2) (resid 77 and name HN) 2.65 0.85 0.85 ! 0.9966 1553:10 Intra 2.85, 2.89 A assign (resid 35 and name HA) (resid 35 and name HE) 3.65 1.85 1.85 ! 0.0000 1555:10 Intra 4.08, 4.36 A assign (resid 35 and name HD1) (resid 35 and name HE) 3.15 1.35 1.35 ! 0.0000 1556:10 Intra 2.40, 2.77 A assign (resid 26 and name HB1) (resid 23 and name HN) 2.65 0.85 0.85 ! 0.9449 1557:10 Mid 3.24, 3.33 A assign (resid 26 and name HB2) (resid 23 and name HN) 2.65 0.85 0.85 ! 0.9989 1558:10 Mid 1.80, 1.92 A assign (resid 105 and name HB*) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.0000 1559:10 Long 4.67, 5.28 A assign (resid 72 and name HE*) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.0000 1560:10 Long 4.32, 5.43 A assign (resid 39 and name HB1) (resid 39 and name HD21) 3.15 1.35 1.35 ! 0.7416 1562:10 Ambig 2.16, 2.77 A or (resid 35 and name HD2) (resid 39 and name HD21) ! 0.2584 1562:10 ----- 2.58, 4.58 A assign (resid 35 and name HD2) (resid 35 and name HE) 2.65 0.85 0.85 ! 0.9767 1563:10 Intra 2.44, 2.74 A assign (resid 22 and name HB) (resid 23 and name HN) 2.65 0.85 0.85 ! 0.9991 1564:10 Seq 2.52, 2.67 A assign (resid 25 and name HB1) (resid 23 and name HN) 3.65 1.85 1.85 ! 0.6338 1565:10 Ambig 4.53, 5.54 A or (resid 31 and name HB1) (resid 23 and name HN) ! 0.2075 1565:10 ----- 5.45, 5.74 A or (resid 25 and name HD*) (resid 23 and name HN) ! 0.1292 1565:10 ----- 5.90, 7.69 A assign (resid 78 and name HG1) (resid 77 and name HN) 4.15 2.35 2.35 ! 0.9941 1566:10 Seq 3.44, 3.87 A assign (resid 76 and name HB) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.9207 1567:10 Seq 3.35, 3.72 A assign (resid 76 and name HG11) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.8667 1568:10 Ambig 4.33, 4.82 A or (resid 72 and name HD*) (resid 77 and name HN) ! 0.1163 1568:10 ----- 6.06, 7.37 A assign (resid 20 and name HG1) (resid 35 and name HE) 4.15 2.35 2.35 ! 0.0000 1572:10 Long 4.44, 5.48 A assign (resid 20 and name HG2) (resid 35 and name HE) 3.65 1.85 1.85 ! 0.7978 1573:10 Ambig 3.27, 4.32 A or (resid 20 and name HB*) (resid 35 and name HE) ! 0.1860 1573:10 ----- 4.17, 5.85 A assign (resid 85 and name HB1) (resid 85 and name HE21) 3.65 1.85 1.85 ! 0.9296 1575:10 Intra 2.82, 3.91 A assign (resid 85 and name HG1) (resid 85 and name HE21) 2.65 0.85 0.85 ! 0.8234 1576:10 Ambig 2.20, 2.78 A or (resid 85 and name HB2) (resid 85 and name HE21) ! 0.1754 1576:10 ----- 2.85, 4.14 A assign (resid 85 and name HB1) (resid 85 and name HE22) 3.65 1.85 1.85 ! 0.9042 1577:10 Intra 3.78, 4.37 A assign (resid 85 and name HG1) (resid 85 and name HE22) 3.65 1.85 1.85 ! 0.6738 1578:10 Ambig 3.45, 3.71 A or (resid 85 and name HB2) (resid 85 and name HE22) ! 0.3214 1578:10 ----- 3.90, 4.53 A assign (resid 65 and name HD*) (resid 23 and name HN) 3.15 1.35 1.35 ! 0.5177 1579:10 Ambig 3.62, 6.73 A or (resid 65 and name HG2) (resid 23 and name HN) ! 0.3351 1579:10 ----- 3.89, 4.63 A or (resid 31 and name HG*) (resid 23 and name HN) ! 0.0742 1579:10 ----- 5.01, 6.49 A assign (resid 23 and name HG2*) (resid 23 and name HN) 2.30 0.50 0.50 ! 0.9988 1580:10 Intra 2.38, 3.36 A assign (resid 22 and name HG2*) (resid 23 and name HN) 2.65 0.85 0.85 ! 0.5460 1581:10 Ambig 3.69, 4.43 A or (resid 22 and name HG1*) (resid 23 and name HN) ! 0.3228 1581:10 ----- 4.03, 4.70 A or (resid 66 and name HG12) (resid 23 and name HN) ! 0.1174 1581:10 ----- 4.77, 4.90 A assign (resid 76 and name HG12) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.0000 1582:10 Seq 4.37, 5.01 A assign (resid 76 and name HG2*) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.9883 1583:10 Seq 1.82, 2.93 A assign (resid 35 and name HB*) (resid 35 and name HE) 2.65 0.85 0.85 ! 0.0000 1586:10 Intra 1.82, 2.49 A assign (resid 19 and name HB*) (resid 35 and name HE) 3.65 1.85 1.85 ! 0.9920 1587:10 Long 3.89, 5.78 A assign (resid 35 and name HG*) (resid 35 and name HE) 3.65 1.85 1.85 ! 0.9993 1588:10 Intra 2.38, 3.22 A assign (resid 85 and name HG2) (resid 85 and name HE21) 3.65 1.85 1.85 ! 0.9996 1589:10 Intra 2.19, 2.48 A assign (resid 85 and name HG2) (resid 85 and name HE22) 3.65 1.85 1.85 ! 0.9977 1590:10 Intra 3.44, 3.58 A assign (resid 36 and name HN) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.5239 1591:10 Ambig 3.82, 3.89 A or (resid 37 and name HN) (resid 39 and name HN) ! 0.4594 1591:10 ----- 3.91, 4.07 A assign (resid 95 and name HN) (resid 96 and name HN) 2.65 0.85 0.85 ! 0.0000 1592:10 Seq 2.19, 2.23 A assign (resid 40 and name HN) (resid 39 and name HN) 2.65 0.85 0.85 ! 0.9973 1593:10 Seq 2.55, 2.69 A assign (resid 38 and name HN) (resid 39 and name HN) 2.65 0.85 0.85 ! 0.5525 1594:10 Ambig 2.14, 2.47 A or (resid 39 and name HD21) (resid 39 and name HN) ! 0.4466 1594:10 ----- 2.22, 4.10 A assign (resid 97 and name HN) (resid 96 and name HN) 2.30 0.50 0.50 ! 0.9834 1595:10 Seq 2.16, 2.27 A assign (resid 8 and name HA) (resid 9 and name HN) 2.30 0.50 0.50 ! 0.6241 1598:10 Ambig 2.08, 2.53 A or (resid 9 and name HA1) (resid 9 and name HN) ! 0.3759 1598:10 ----- 2.26, 2.52 A assign (resid 38 and name HA) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.9827 1599:10 Seq 2.93, 3.13 A assign (resid 37 and name HA) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.9298 1600:10 Mid 3.36, 3.48 A assign (resid 39 and name HA) (resid 39 and name HN) 2.30 0.50 0.50 ! 0.9989 1601:10 Intra 2.14, 2.19 A assign (resid 83 and name HA1) (resid 83 and name HN) 2.65 0.85 0.85 ! 0.9260 1603:10 Intra 2.90, 2.92 A assign (resid 92 and name HA) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.8984 1604:10 Ambig 3.41, 3.69 A or (resid 97 and name HA) (resid 96 and name HN) ! 0.1016 1604:10 ----- 4.90, 4.98 A assign (resid 95 and name HA) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.9258 1605:10 Seq 3.37, 3.45 A assign (resid 96 and name HA1) (resid 96 and name HN) 2.65 0.85 0.85 ! 0.8974 1606:10 Ambig 2.87, 2.91 A or (resid 94 and name HA) (resid 96 and name HN) ! 0.0650 1606:10 ----- 4.45, 4.65 A assign (resid 9 and name HA2) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.9984 1607:10 Intra 2.32, 2.77 A assign (resid 35 and name HD1) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.4461 1608:10 Ambig 4.12, 4.67 A or (resid 38 and name HB1) (resid 39 and name HN) ! 0.3315 1608:10 ----- 4.33, 4.42 A or (resid 40 and name HB2) (resid 39 and name HN) ! 0.2191 1608:10 ----- 4.64, 4.80 A assign (resid 82 and name HB1) (resid 83 and name HN) 2.30 0.50 0.50 ! 0.4763 1609:10 Ambig 2.38, 2.97 A or (resid 83 and name HA2) (resid 83 and name HN) ! 0.4720 1609:10 ----- 2.39, 2.48 A assign (resid 87 and name HB1) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.7465 1610:10 Ambig 5.53, 5.69 A or (resid 80 and name HB1) (resid 83 and name HN) ! 0.2048 1610:10 ----- 6.86, 7.21 A assign (resid 96 and name HA2) (resid 96 and name HN) 2.30 0.50 0.50 ! 0.9997 1611:10 Intra 2.30, 2.33 A assign (resid 39 and name HB2) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 1613:10 Intra 3.48, 3.56 A assign (resid 38 and name HB2) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.6287 1614:10 Ambig 4.20, 4.43 A or (resid 37 and name HB1) (resid 39 and name HN) ! 0.3671 1614:10 ----- 4.59, 4.96 A assign (resid 88 and name HE1) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.6881 1615:10 Ambig 3.44, 3.93 A or (resid 88 and name HE2) (resid 83 and name HN) ! 0.2893 1615:10 ----- 3.97, 4.57 A assign (resid 87 and name HB2) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.9301 1616:10 Mid 4.74, 4.98 A assign (resid 84 and name HG*) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.9665 1617:10 Seq 5.42, 6.19 A assign (resid 91 and name HA) (resid 96 and name HN) 4.15 2.35 2.35 ! 0.9532 1618:10 Long 5.34, 5.50 A assign (resid 8 and name HB) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.9773 1621:10 Seq 1.83, 3.70 A assign (resid 10 and name HG) (resid 9 and name HN) 4.15 2.35 2.35 ! 0.7496 1622:10 Ambig 2.99, 4.97 A or (resid 10 and name HB2) (resid 9 and name HN) ! 0.2171 1622:10 ----- 3.67, 5.25 A assign (resid 11 and name HG*) (resid 9 and name HN) 3.65 1.85 1.85 ! 0.5576 1623:10 Ambig 2.46, 6.41 A or (resid 8 and name HG11) (resid 9 and name HN) ! 0.4424 1623:10 ----- 2.55, 4.43 A assign (resid 36 and name HB1) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 1624:10 Mid 3.93, 4.31 A assign (resid 36 and name HG) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 1625:10 Mid 5.36, 5.43 A assign (resid 84 and name HB*) (resid 83 and name HN) 4.15 2.35 2.35 ! 0.0000 1626:10 Seq 6.37, 6.76 A assign (resid 69 and name HB) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.8511 1627:10 Ambig 4.11, 4.55 A or (resid 81 and name HB) (resid 83 and name HN) ! 0.0740 1627:10 ----- 6.18, 6.59 A assign (resid 71 and name HG11) (resid 83 and name HN) 4.15 2.35 2.35 ! 0.5375 1628:10 Ambig 6.49, 7.00 A or (resid 69 and name HG11) (resid 83 and name HN) ! 0.3357 1628:10 ----- 7.02, 7.44 A or (resid 85 and name HB2) (resid 83 and name HN) ! 0.0795 1628:10 ----- 8.92, 9.39 A assign (resid 95 and name HB1) (resid 96 and name HN) 2.65 0.85 0.85 ! 0.7164 1630:10 Ambig 3.67, 3.72 A or (resid 95 and name HG) (resid 96 and name HN) ! 0.2705 1630:10 ----- 4.31, 4.45 A assign (resid 8 and name HG12) (resid 9 and name HN) 3.65 1.85 1.85 ! 0.0000 1631:10 Seq 2.55, 4.52 A assign (resid 8 and name HG2*) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.8944 1632:10 Ambig 2.58, 4.33 A or (resid 10 and name HD1*) (resid 9 and name HN) ! 0.1056 1632:10 ----- 3.69, 6.55 A assign (resid 35 and name HB*) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 1633:10 Mid 5.37, 6.08 A assign (resid 36 and name HB2) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.9986 1634:10 Mid 3.13, 3.33 A assign (resid 19 and name HB*) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.7820 1635:10 Ambig 4.29, 5.18 A or (resid 36 and name HD1*) (resid 39 and name HN) ! 0.2180 1635:10 ----- 5.31, 6.21 A assign (resid 35 and name HG*) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 1636:10 Mid 3.27, 3.97 A assign (resid 88 and name HG1) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.9084 1637:10 Long 4.70, 5.20 A assign (resid 88 and name HG2) (resid 83 and name HN) 4.15 2.35 2.35 ! 0.5271 1638:10 Ambig 5.42, 5.85 A or (resid 69 and name HG12) (resid 83 and name HN) ! 0.2969 1638:10 ----- 5.97, 6.43 A or (resid 65 and name HB2) (resid 83 and name HN) ! 0.1037 1638:10 ----- 7.11, 7.67 A assign (resid 71 and name HG12) (resid 83 and name HN) 4.15 2.35 2.35 ! 0.8877 1639:10 Ambig 6.03, 6.35 A or (resid 65 and name HG1) (resid 83 and name HN) ! 0.1123 1639:10 ----- 8.50, 9.65 A assign (resid 81 and name HG1*) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.4820 1640:10 Ambig 4.96, 6.32 A or (resid 69 and name HG2*) (resid 83 and name HN) ! 0.3470 1640:10 ----- 5.24, 6.25 A or (resid 71 and name HD1*) (resid 83 and name HN) ! 0.1585 1640:10 ----- 5.97, 7.56 A assign (resid 95 and name HB2) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.8605 1641:10 Ambig 2.69, 2.80 A or (resid 97 and name HG*) (resid 96 and name HN) ! 0.0869 1641:10 ----- 3.94, 5.12 A assign (resid 93 and name HG2*) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.6501 1642:10 Ambig 5.43, 6.25 A or (resid 93 and name HG12) (resid 96 and name HN) ! 0.3499 1642:10 ----- 6.03, 6.19 A assign (resid 95 and name HD2*) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.7525 1643:10 Ambig 5.14, 5.78 A or (resid 111 and name HD2*) (resid 96 and name HN) ! 0.1793 1643:10 ----- 6.53, 7.59 A assign (resid 95 and name HD1*) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.4839 1644:10 Ambig 4.97, 5.71 A or (resid 91 and name HG2*) (resid 96 and name HN) ! 0.3523 1644:10 ----- 5.24, 6.26 A or (resid 94 and name HD2*) (resid 96 and name HN) ! 0.1051 1644:10 ----- 6.41, 7.29 A assign (resid 36 and name HD2*) (resid 39 and name HN) 4.15 2.35 2.35 ! 0.0000 1645:10 Mid 6.22, 6.82 A assign (resid 61 and name HN) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.9989 1647:10 Seq 2.58, 2.64 A assign (resid 64 and name HN) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.7613 1648:10 Ambig 4.10, 4.25 A or (resid 24 and name HN) (resid 62 and name HN) ! 0.2048 1648:10 ----- 5.10, 5.27 A assign (resid 63 and name HN) (resid 62 and name HN) 2.30 0.50 0.50 ! 0.9995 1649:10 Seq 2.27, 2.42 A assign (resid 61 and name HD1) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.0000 1651:10 Seq 4.63, 4.76 A assign (resid 23 and name HB) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.0000 1653:10 Long 4.47, 4.62 A assign (resid 62 and name HA) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.9990 1655:10 Intra 2.89, 2.90 A assign (resid 59 and name HA) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.6043 1656:10 Ambig 4.46, 4.73 A or (resid 63 and name HA) (resid 62 and name HN) ! 0.3855 1656:10 ----- 4.80, 4.85 A assign (resid 62 and name HB1) (resid 62 and name HN) 2.65 0.85 0.85 ! 0.8018 1657:10 Ambig 2.92, 3.25 A or (resid 60 and name HA) (resid 62 and name HN) ! 0.1937 1657:10 ----- 3.70, 3.90 A assign (resid 16 and name HA) (resid 38 and name HD22) 3.65 1.85 1.85 ! 0.9759 1658:10 Long 2.49, 3.50 A assign (resid 16 and name HB1) (resid 38 and name HD22) 3.65 1.85 1.85 ! 0.5790 1659:10 Ambig 3.62, 4.80 A or (resid 15 and name HB*) (resid 38 and name HD22) ! 0.4140 1659:10 ----- 3.83, 5.27 A assign (resid 62 and name HB2) (resid 62 and name HN) 2.65 0.85 0.85 ! 0.9923 1660:10 Intra 2.62, 3.17 A assign (resid 61 and name HB1) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.0000 1661:10 Seq 3.62, 3.70 A assign (resid 38 and name HB1) (resid 38 and name HD22) 3.15 1.35 1.35 ! 0.9884 1662:10 Intra 3.50, 3.68 A assign (resid 61 and name HB2) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.6748 1663:10 Ambig 2.64, 2.78 A or (resid 25 and name HE*) (resid 62 and name HN) ! 0.3185 1663:10 ----- 2.99, 6.07 A assign (resid 38 and name HB2) (resid 38 and name HD22) 3.65 1.85 1.85 ! 0.9451 1664:10 Intra 3.46, 3.69 A assign (resid 24 and name HB) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.9871 1665:10 Long 4.69, 4.83 A assign (resid 58 and name HA) (resid 62 and name HN) 4.15 2.35 2.35 ! 0.0000 1666:10 Mid 5.63, 5.79 A assign (resid 25 and name HD*) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.8522 1667:10 Ambig 3.25, 4.72 A or (resid 25 and name HB1) (resid 62 and name HN) ! 0.0759 1667:10 ----- 4.86, 5.59 A assign (resid 25 and name HB2) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.9626 1668:10 Long 3.60, 4.32 A assign (resid 25 and name HG*) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.9145 1669:10 Long 3.32, 5.34 A assign (resid 63 and name HG) (resid 62 and name HN) 2.65 0.85 0.85 ! 0.8375 1670:10 Ambig 3.40, 3.57 A or (resid 23 and name HG2*) (resid 62 and name HN) ! 0.0751 1670:10 ----- 5.09, 6.10 A assign (resid 63 and name HB2) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.8194 1671:10 Ambig 4.19, 4.35 A or (resid 60 and name HG) (resid 62 and name HN) ! 0.0698 1671:10 ----- 6.32, 6.53 A or (resid 56 and name HD1*) (resid 62 and name HN) ! 0.0565 1671:10 ----- 6.55, 7.42 A assign (resid 36 and name HD1*) (resid 38 and name HD21) 3.65 1.85 1.85 ! 0.9675 1672:10 Mid 3.36, 5.31 A assign (resid 24 and name HD1*) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.9177 1673:10 Long 5.15, 6.32 A assign (resid 63 and name HD2*) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.5023 1674:10 Ambig 4.96, 5.79 A or (resid 58 and name HD1*) (resid 62 and name HN) ! 0.4977 1674:10 ----- 4.97, 6.14 A assign (resid 63 and name HD1*) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.0000 1675:10 Seq 4.87, 5.69 A assign (resid 31 and name HN) (resid 30 and name HN) 2.65 0.85 0.85 ! 0.9916 1676:10 Seq 2.16, 2.28 A assign (resid 27 and name HA) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.8915 1677:10 Ambig 3.24, 3.40 A or (resid 26 and name HA) (resid 30 and name HN) ! 0.1085 1677:10 ----- 4.60, 4.85 A assign (resid 30 and name HA1) (resid 30 and name HN) 2.65 0.85 0.85 ! 0.9384 1678:10 Intra 2.92, 2.94 A assign (resid 16 and name HA) (resid 38 and name HD21) 3.15 1.35 1.35 ! 0.9397 1679:10 Long 2.26, 4.00 A assign (resid 15 and name HB*) (resid 38 and name HD21) 3.15 1.35 1.35 ! 0.9600 1680:10 Long 2.59, 4.34 A assign (resid 28 and name HA) (resid 30 and name HN) 3.65 1.85 1.85 ! 0.9740 1681:10 Mid 3.53, 3.64 A assign (resid 30 and name HA2) (resid 30 and name HN) 2.65 0.85 0.85 ! 0.9997 1682:10 Intra 2.39, 2.40 A assign (resid 38 and name HB1) (resid 38 and name HD21) 3.15 1.35 1.35 ! 0.9984 1683:10 Intra 2.27, 2.72 A assign (resid 29 and name HB1) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.8141 1684:10 Ambig 3.12, 3.34 A or (resid 46 and name HE2) (resid 30 and name HN) ! 0.1407 1684:10 ----- 4.17, 5.08 A assign (resid 29 and name HB2) (resid 30 and name HN) 3.65 1.85 1.85 ! 0.5458 1685:10 Ambig 4.12, 4.26 A or (resid 46 and name HE1) (resid 30 and name HN) ! 0.4542 1685:10 ----- 4.25, 4.86 A assign (resid 38 and name HB2) (resid 38 and name HD21) 3.15 1.35 1.35 ! 0.9760 1687:10 Intra 2.19, 2.74 A assign (resid 46 and name HB2) (resid 30 and name HN) 3.65 1.85 1.85 ! 0.6345 1688:10 Ambig 4.96, 5.61 A or (resid 31 and name HB1) (resid 30 and name HN) ! 0.3043 1688:10 ----- 5.60, 5.75 A assign (resid 22 and name HB) (resid 30 and name HN) 4.15 2.35 2.35 ! 0.5125 1689:10 Ambig 6.60, 6.84 A or (resid 32 and name HB1) (resid 30 and name HN) ! 0.4875 1689:10 ----- 6.65, 6.86 A assign (resid 31 and name HG*) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.4348 1690:10 Ambig 4.03, 5.23 A or (resid 46 and name HG1) (resid 30 and name HN) ! 0.1887 1690:10 ----- 4.63, 5.31 A or (resid 28 and name HB2) (resid 30 and name HN) ! 0.1608 1690:10 ----- 4.76, 4.83 A or (resid 27 and name HB*) (resid 30 and name HN) ! 0.1369 1690:10 ----- 4.89, 5.33 A assign (resid 32 and name HG) (resid 30 and name HN) 3.65 1.85 1.85 ! 0.9961 1691:10 Mid 3.66, 3.95 A assign (resid 32 and name HD2*) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.6553 1692:10 Ambig 4.09, 5.10 A or (resid 32 and name HD1*) (resid 30 and name HN) ! 0.3156 1692:10 ----- 4.62, 5.75 A assign (resid 36 and name HD1*) (resid 38 and name HD22) 3.65 1.85 1.85 ! 0.9988 1693:10 Mid 2.42, 4.00 A assign (resid 28 and name HD1*) (resid 30 and name HN) 4.15 2.35 2.35 ! 0.0000 1694:10 Mid 6.99, 7.47 A assign (resid 85 and name HE21) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.0000 1695:10 Seq 3.06, 3.79 A assign (resid 85 and name HE22) (resid 86 and name HE1) 3.65 1.85 1.85 ! 0.0000 1696:10 Seq 4.55, 4.99 A assign (resid 121 and name HA) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.0000 1697:10 Long 4.78, 5.08 A assign (resid 48 and name HG2) (resid 46 and name HN) 4.15 2.35 2.35 ! 0.8617 1698:10 Ambig 5.34, 7.10 A or (resid 50 and name HG2) (resid 46 and name HN) ! 0.1383 1698:10 ----- 7.25, 7.42 A assign (resid 32 and name HB1) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.7764 1699:10 Ambig 4.33, 4.52 A or (resid 50 and name HG1) (resid 46 and name HN) ! 0.1434 1699:10 ----- 5.73, 5.88 A assign (resid 45 and name HB1) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.8681 1700:10 Ambig 3.36, 3.48 A or (resid 49 and name HB) (resid 46 and name HN) ! 0.0670 1700:10 ----- 5.16, 5.31 A assign (resid 59 and name HN) (resid 61 and name HE1) 4.15 2.35 2.35 ! 0.0000 1701:10 Mid 5.39, 5.54 A assign (resid 60 and name HN) (resid 61 and name HE1) 3.65 1.85 1.85 ! 0.7044 1703:10 Ambig 4.97, 5.12 A or (resid 61 and name HZ3) (resid 61 and name HE1) ! 0.2558 1703:10 ----- 5.88, 5.90 A assign (resid 36 and name HG) (resid 35 and name HN) 4.15 2.35 2.35 ! 0.8041 1706:10 Ambig 5.47, 5.63 A or (resid 31 and name HD*) (resid 35 and name HN) ! 0.1521 1706:10 ----- 7.22, 9.21 A assign (resid 33 and name HB*) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.5992 1707:10 Ambig 5.33, 6.55 A or (resid 44 and name HB) (resid 43 and name HN) ! 0.1939 1707:10 ----- 6.43, 6.53 A or (resid 36 and name HG) (resid 43 and name HN) ! 0.1545 1707:10 ----- 6.68, 6.97 A assign (resid 24 and name HD1*) (resid 61 and name HE1) 3.15 1.35 1.35 ! 0.8638 1708:10 Ambig 4.67, 5.61 A or (resid 60 and name HD1*) (resid 61 and name HE1) ! 0.1362 1708:10 ----- 6.36, 7.41 A assign (resid 34 and name HG12) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.2881 1709:10 Ambig 4.88, 5.07 A or (resid 33 and name HG2) (resid 35 and name HN) ! 0.2735 1709:10 ----- 4.92, 5.38 A or (resid 33 and name HG1) (resid 35 and name HN) ! 0.2598 1709:10 ----- 4.96, 6.34 A or (resid 18 and name HB2) (resid 35 and name HN) ! 0.0958 1709:10 ----- 5.86, 6.27 A assign (resid 69 and name HN) (resid 120 and name HN) 3.65 1.85 1.85 ! 0.0000 1710:10 Long 4.77, 4.82 A assign (resid 119 and name HN) (resid 120 and name HN) 3.65 1.85 1.85 ! 0.7713 1711:10 Ambig 4.26, 4.33 A or (resid 68 and name HD*) (resid 120 and name HN) ! 0.2287 1711:10 ----- 5.22, 6.25 A assign (resid 29 and name HB2) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.8695 1713:10 Ambig 4.59, 4.81 A or (resid 46 and name HE1) (resid 31 and name HN) ! 0.1305 1713:10 ----- 6.30, 7.01 A assign (resid 122 and name HG11) (resid 123 and name HN) 3.65 1.85 1.85 ! 0.6387 1714:10 Ambig 5.36, 5.56 A or (resid 72 and name HD*) (resid 123 and name HN) ! 0.2394 1714:10 ----- 6.31, 7.09 A or (resid 121 and name HG11) (resid 123 and name HN) ! 0.1219 1714:10 ----- 7.06, 7.69 A assign (resid 69 and name HG12) (resid 120 and name HN) 3.65 1.85 1.85 ! 0.4669 1715:10 Ambig 5.70, 5.89 A or (resid 18 and name HG1) (resid 120 and name HN) ! 0.4628 1715:10 ----- 5.71, 6.12 A assign (resid 19 and name HN) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.0000 1716:10 Long 4.17, 4.29 A assign (resid 24 and name HN) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.9172 1717:10 Mid 4.62, 4.73 A assign (resid 79 and name HA) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.7610 1719:10 Ambig 5.43, 5.62 A or (resid 71 and name HA) (resid 81 and name HN) ! 0.1004 1719:10 ----- 7.61, 7.71 A or (resid 78 and name HA) (resid 81 and name HN) ! 0.0938 1719:10 ----- 7.70, 7.91 A assign (resid 32 and name HA) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.4558 1720:10 Ambig 5.79, 5.98 A or (resid 31 and name HA) (resid 27 and name HN) ! 0.2546 1720:10 ----- 6.39, 6.51 A or (resid 62 and name HA) (resid 27 and name HN) ! 0.1918 1720:10 ----- 6.69, 6.91 A assign (resid 43 and name HB1) (resid 44 and name HN) 2.65 0.85 0.85 ! 0.9903 1723:10 Seq 2.65, 3.03 A assign (resid 66 and name HD1*) (resid 27 and name HN) 3.15 1.35 1.35 ! 0.9305 1724:10 Long 3.68, 4.92 A assign (resid 25 and name HN) (resid 61 and name HN) 4.15 2.35 2.35 ! 0.8513 1725:10 Ambig 5.75, 5.90 A or (resid 56 and name HN) (resid 61 and name HN) ! 0.1487 1725:10 ----- 7.70, 7.86 A assign (resid 30 and name HN) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.8774 1727:10 Ambig 5.00, 5.42 A or (resid 29 and name HN) (resid 32 and name HN) ! 0.1226 1727:10 ----- 6.94, 7.43 A assign (resid 61 and name HD1) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 1728:10 Mid 4.76, 4.91 A assign (resid 59 and name HE*) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 1729:10 Seq 4.72, 5.62 A assign (resid 60 and name HN) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.9587 1730:10 Mid 4.30, 4.40 A assign (resid 61 and name HZ2) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.9567 1731:10 Mid 4.87, 5.24 A assign (resid 61 and name HN) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 1732:10 Mid 5.24, 5.41 A assign (resid 59 and name HN) (resid 58 and name HN) 2.65 0.85 0.85 ! 0.0000 1733:10 Seq 2.75, 2.82 A assign (resid 27 and name HA) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.9710 1734:10 Long 4.21, 4.55 A assign (resid 71 and name HG12) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.9949 1736:10 Intra 2.15, 2.30 A assign (resid 79 and name HN) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.8571 1737:10 Ambig 4.74, 4.87 A or (resid 103 and name HN) (resid 105 and name HN) ! 0.1429 1737:10 ----- 6.39, 6.54 A assign (resid 43 and name HN) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.9931 1738:10 Seq 4.14, 4.28 A assign (resid 68 and name HN) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.6064 1739:10 Ambig 4.44, 4.51 A or (resid 120 and name HN) (resid 69 and name HN) ! 0.3936 1739:10 ----- 4.77, 4.82 A assign (resid 69 and name HN) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.9686 1740:10 Seq 4.44, 4.51 A assign (resid 105 and name HN) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.0000 1741:10 Long 4.74, 4.87 A assign (resid 80 and name HN) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.0000 1742:10 Seq 4.16, 4.27 A assign (resid 47 and name HN) (resid 51 and name HN) 4.15 2.35 2.35 ! 0.8365 1743:10 Ambig 6.19, 6.30 A or (resid 46 and name HN) (resid 51 and name HN) ! 0.1635 1743:10 ----- 8.13, 8.27 A assign (resid 110 and name HN) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.9725 1744:10 Mid 4.61, 4.72 A assign (resid 120 and name HZ) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.0000 1745:10 Long 4.73, 5.17 A assign (resid 52 and name HA) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.7686 1747:10 Ambig 3.73, 3.88 A or (resid 51 and name HA) (resid 55 and name HN) ! 0.1990 1747:10 ----- 4.67, 5.07 A assign (resid 68 and name HB2) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.9532 1748:10 Seq 3.82, 3.95 A assign (resid 47 and name HB1) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.4815 1749:10 Ambig 5.06, 5.23 A or (resid 53 and name HB2) (resid 51 and name HN) ! 0.3713 1749:10 ----- 5.28, 7.02 A or (resid 48 and name HG1) (resid 51 and name HN) ! 0.1472 1749:10 ----- 6.16, 6.41 A assign (resid 69 and name HG11) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.9209 1750:10 Intra 3.70, 4.01 A assign (resid 56 and name HG2*) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.9863 1751:10 Seq 3.16, 4.32 A assign (resid 24 and name HD1*) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.9195 1752:10 Long 3.75, 4.74 A assign (resid 95 and name HD1*) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.6423 1753:10 Ambig 5.22, 5.94 A or (resid 111 and name HD1*) (resid 107 and name HN) ! 0.2094 1753:10 ----- 6.29, 7.30 A or (resid 91 and name HG2*) (resid 107 and name HN) ! 0.0500 1753:10 ----- 7.99, 8.41 A assign (resid 23 and name HN) (resid 26 and name HN) 3.65 1.85 1.85 ! 0.0000 1754:10 Mid 3.04, 3.17 A assign (resid 109 and name HN) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.0000 1755:10 Mid 4.12, 4.21 A assign (resid 89 and name HA) (resid 90 and name HN) 2.65 0.85 0.85 ! 0.9972 1756:10 Seq 3.49, 3.51 A assign (resid 141 and name HA) (resid 140 and name HN) 3.15 1.35 1.35 ! 0.5161 1757:10 Ambig 4.24, 4.80 A or (resid 62 and name HA) (resid 26 and name HN) ! 0.4561 1757:10 ----- 4.33, 4.55 A assign (resid 85 and name HA) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.9798 1758:10 Mid 3.12, 3.35 A assign (resid 43 and name HG1) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.5093 1759:10 Ambig 4.79, 5.51 A or (resid 20 and name HG1) (resid 34 and name HN) ! 0.2771 1759:10 ----- 5.30, 5.80 A or (resid 32 and name HB1) (resid 34 and name HN) ! 0.1715 1759:10 ----- 5.74, 6.15 A assign (resid 12 and name HB1) (resid 12 and name HN) 3.15 1.35 1.35 ! 0.0000 1760:10 Intra 3.58, 3.66 A assign (resid 12 and name HB1) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.0000 1761:10 Seq 3.59, 3.82 A assign (resid 109 and name HG1) (resid 110 and name HN) 3.65 1.85 1.85 ! 0.9897 1762:10 Seq 4.18, 4.56 A assign (resid 45 and name HB1) (resid 48 and name HN) 2.30 0.50 0.50 ! 0.9790 1763:10 Mid 2.49, 2.74 A assign (resid 85 and name HB1) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.6832 1764:10 Ambig 3.90, 4.04 A or (resid 88 and name HB2) (resid 86 and name HN) ! 0.1624 1764:10 ----- 4.95, 5.10 A or (resid 89 and name HD*) (resid 86 and name HN) ! 0.1357 1764:10 ----- 5.10, 6.75 A assign (resid 103 and name HG11) (resid 103 and name HN) 2.30 0.50 0.50 ! 0.0000 1765:10 Intra 2.81, 2.82 A assign (resid 24 and name HD1*) (resid 24 and name HN) 2.65 0.85 0.85 ! 0.9667 1766:10 Intra 3.78, 4.32 A assign (resid 110 and name HG1) (resid 110 and name HN) 2.30 0.50 0.50 ! 0.9887 1767:10 Intra 2.03, 2.26 A assign (resid 95 and name HD2*) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.7409 1768:10 Ambig 4.95, 5.72 A or (resid 111 and name HD2*) (resid 110 and name HN) ! 0.2591 1768:10 ----- 5.89, 6.68 A assign (resid 86 and name HD1) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.8869 1769:10 Ambig 4.95, 5.30 A or (resid 64 and name HN) (resid 84 and name HN) ! 0.0701 1769:10 ----- 7.56, 7.95 A assign (resid 87 and name HN) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.0000 1770:10 Mid 3.12, 3.42 A assign (resid 59 and name HE*) (resid 60 and name HN) 3.65 1.85 1.85 ! 0.0000 1771:10 Seq 5.65, 6.40 A assign (resid 59 and name HD*) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.0000 1772:10 Seq 3.45, 4.47 A assign (resid 141 and name HB1) (resid 142 and name HN) 3.15 1.35 1.35 ! 0.7602 1773:10 Ambig 1.82, 3.30 A or (resid 142 and name HB2) (resid 142 and name HN) ! 0.1197 1773:10 ----- 2.47, 2.78 A or (resid 141 and name HB2) (resid 142 and name HN) ! 0.1063 1773:10 ----- 2.52, 3.87 A assign (resid 114 and name HG1) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.8984 1774:10 Ambig 3.74, 3.89 A or (resid 111 and name HG) (resid 115 and name HN) ! 0.0379 1774:10 ----- 6.33, 6.51 A assign (resid 111 and name HB1) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.4631 1775:10 Ambig 4.26, 4.43 A or (resid 114 and name HG2) (resid 115 and name HN) ! 0.3122 1775:10 ----- 4.55, 4.65 A or (resid 113 and name HB*) (resid 115 and name HN) ! 0.1300 1775:10 ----- 5.26, 5.71 A assign (resid 78 and name HG2) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.9815 1776:10 Intra 3.75, 4.03 A assign (resid 76 and name HG12) (resid 78 and name HN) 4.15 2.35 2.35 ! 0.0000 1777:10 Mid 5.29, 5.52 A assign (resid 66 and name HB) (resid 66 and name HN) 2.65 0.85 0.85 ! 0.4674 1778:10 Ambig 3.65, 3.67 A or (resid 65 and name HD*) (resid 66 and name HN) ! 0.2683 1778:10 ----- 4.01, 6.04 A or (resid 65 and name HG2) (resid 66 and name HN) ! 0.2439 1778:10 ----- 4.07, 4.39 A assign (resid 24 and name HG12) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.5154 1779:10 Ambig 4.79, 4.88 A or (resid 49 and name HG1*) (resid 25 and name HN) ! 0.1949 1779:10 ----- 5.63, 6.04 A or (resid 22 and name HG2*) (resid 25 and name HN) ! 0.1190 1779:10 ----- 6.11, 7.25 A or (resid 64 and name HG1*) (resid 25 and name HN) ! 0.0579 1779:10 ----- 6.89, 7.83 A or (resid 56 and name HD1*) (resid 25 and name HN) ! 0.0427 1779:10 ----- 7.25, 8.40 A assign (resid 40 and name HN) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.8651 1781:10 Ambig 3.33, 3.62 A or (resid 17 and name HN) (resid 38 and name HN) ! 0.1349 1781:10 ----- 4.54, 4.84 A assign (resid 52 and name HN) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.9957 1782:10 Mid 3.87, 4.02 A assign (resid 111 and name HN) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.0000 1783:10 Mid 4.05, 4.27 A assign (resid 47 and name HB1) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.7223 1784:10 Ambig 3.57, 3.64 A or (resid 48 and name HG1) (resid 47 and name HN) ! 0.2777 1784:10 ----- 4.19, 4.38 A assign (resid 139 and name HD1*) (resid 136 and name HN) 3.15 1.35 1.35 ! 0.3723 1785:10 Ambig 4.61, 6.34 A or (resid 135 and name HD2*) (resid 136 and name HN) ! 0.3334 1785:10 ----- 4.70, 5.55 A or (resid 135 and name HD1*) (resid 136 and name HN) ! 0.2943 1785:10 ----- 4.80, 5.70 A assign (resid 135 and name HD1*) (resid 133 and name HN) 3.65 1.85 1.85 ! 0.5166 1786:10 Ambig 5.54, 7.91 A or (resid 135 and name HD2*) (resid 133 and name HN) ! 0.4834 1786:10 ----- 5.60, 7.48 A assign (resid 107 and name HA) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 1788:10 Seq 5.23, 5.30 A assign (resid 77 and name HA2) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.9888 1789:10 Long 4.42, 5.41 A assign (resid 105 and name HA) (resid 105 and name HD22) 3.65 1.85 1.85 ! 0.0000 1790:10 Intra 4.39, 4.72 A assign (resid 39 and name HB2) (resid 39 and name HD22) 3.65 1.85 1.85 ! 0.0000 1791:10 Intra 3.48, 3.80 A assign (resid 134 and name HB1) (resid 136 and name HN) 3.15 1.35 1.35 ! 0.4543 1792:10 Ambig 4.48, 4.94 A or (resid 138 and name HB*) (resid 136 and name HN) ! 0.3242 1792:10 ----- 4.73, 5.89 A or (resid 132 and name HB2) (resid 136 and name HN) ! 0.1040 1792:10 ----- 5.72, 6.29 A or (resid 137 and name HB1) (resid 136 and name HN) ! 0.0791 1792:10 ----- 5.99, 6.22 A assign (resid 114 and name HG1) (resid 114 and name HN) 3.15 1.35 1.35 ! 0.6281 1793:10 Ambig 4.39, 4.43 A or (resid 110 and name HB*) (resid 114 and name HN) ! 0.2271 1793:10 ----- 5.20, 5.83 A or (resid 111 and name HG) (resid 114 and name HN) ! 0.0885 1793:10 ----- 6.09, 6.24 A assign (resid 62 and name HA) (resid 23 and name HN) 3.65 1.85 1.85 ! 0.8658 1794:10 Ambig 5.15, 5.45 A or (resid 31 and name HA) (resid 23 and name HN) ! 0.0715 1794:10 ----- 7.81, 8.03 A assign (resid 39 and name HB2) (resid 39 and name HD21) 3.15 1.35 1.35 ! 0.9998 1795:10 Intra 2.24, 2.97 A assign (resid 35 and name HD2) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.5901 1796:10 Ambig 3.86, 4.84 A or (resid 39 and name HB1) (resid 39 and name HN) ! 0.4058 1796:10 ----- 4.11, 4.16 A assign (resid 61 and name HA) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.0000 1797:10 Seq 3.46, 3.50 A assign (resid 24 and name HG2*) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.6217 1798:10 Ambig 6.38, 7.05 A or (resid 28 and name HD1*) (resid 62 and name HN) ! 0.2909 1798:10 ----- 7.25, 8.33 A assign (resid 31 and name HB2) (resid 30 and name HN) 3.65 1.85 1.85 ! 0.8469 1799:10 Ambig 4.10, 4.36 A or (resid 28 and name HG) (resid 30 and name HN) ! 0.1159 1799:10 ----- 5.71, 5.80 A assign (resid 44 and name HN) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.9652 1802:10 Long 5.15, 5.26 A assign (resid 58 and name HB1) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.5591 1803:10 Ambig 4.78, 5.01 A or (resid 64 and name HG2*) (resid 60 and name HN) ! 0.3045 1803:10 ----- 5.29, 6.11 A or (resid 63 and name HB1) (resid 60 and name HN) ! 0.0915 1803:10 ----- 6.46, 6.56 A assign (resid 60 and name HD2*) (resid 60 and name HN) 2.65 0.85 0.85 ! 0.9821 1804:10 Intra 3.25, 4.05 A assign (resid 94 and name HD2*) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.3144 1805:10 Ambig 5.36, 6.23 A or (resid 91 and name HG2*) (resid 93 and name HN) ! 0.2996 1805:10 ----- 5.40, 6.18 A or (resid 56 and name HD1*) (resid 93 and name HN) ! 0.1586 1805:10 ----- 6.01, 6.87 A or (resid 95 and name HD1*) (resid 93 and name HN) ! 0.0882 1805:10 ----- 6.63, 7.74 A or (resid 99 and name HG2*) (resid 93 and name HN) ! 0.0379 1805:10 ----- 7.63, 8.59 A or (resid 111 and name HD1*) (resid 93 and name HN) ! 0.0297 1805:10 ----- 7.94, 8.94 A assign (resid 63 and name HG) (resid 63 and name HN) 2.65 0.85 0.85 ! 0.9169 1806:10 Intra 2.79, 2.96 A assign (resid 25 and name HB2) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.7488 1807:10 Ambig 4.96, 5.51 A or (resid 56 and name HG12) (resid 63 and name HN) ! 0.1172 1807:10 ----- 6.75, 6.97 A or (resid 90 and name HB*) (resid 63 and name HN) ! 0.0751 1807:10 ----- 7.27, 8.42 A assign (resid 88 and name HB2) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.6284 1808:10 Ambig 4.30, 4.64 A or (resid 85 and name HB1) (resid 87 and name HN) ! 0.1434 1808:10 ----- 5.50, 5.80 A or (resid 89 and name HD*) (resid 87 and name HN) ! 0.0801 1808:10 ----- 6.06, 7.44 A or (resid 64 and name HB) (resid 87 and name HN) ! 0.0747 1808:10 ----- 6.14, 6.32 A assign (resid 84 and name HB*) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.0000 1809:10 Mid 2.13, 3.50 A assign (resid 84 and name HG*) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.9927 1810:10 Mid 4.19, 5.30 A assign (resid 21 and name HB2) (resid 22 and name HN) 2.65 0.85 0.85 ! 0.9367 1811:10 Seq 3.26, 3.45 A assign (resid 21 and name HB1) (resid 22 and name HN) 2.65 0.85 0.85 ! 0.9984 1812:10 Seq 2.20, 2.48 A assign (resid 32 and name HN) (resid 33 and name HN) 2.30 0.50 0.50 ! 0.0000 1813:10 Seq 1.88, 2.32 A assign (resid 95 and name HD1*) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.3081 1814:10 Ambig 5.40, 6.72 A or (resid 112 and name HD1*) (resid 110 and name HN) ! 0.2912 1814:10 ----- 5.46, 6.59 A or (resid 111 and name HD1*) (resid 110 and name HN) ! 0.2343 1814:10 ----- 5.66, 6.47 A or (resid 119 and name HD1*) (resid 110 and name HN) ! 0.0570 1814:10 ----- 7.16, 7.60 A or (resid 112 and name HD2*) (resid 110 and name HN) ! 0.0467 1814:10 ----- 7.40, 7.90 A assign (resid 35 and name HD2) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.8411 1815:10 Ambig 4.31, 4.87 A or (resid 39 and name HB1) (resid 36 and name HN) ! 0.1589 1815:10 ----- 5.70, 5.94 A assign (resid 41 and name HB1) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.7003 1816:10 Ambig 5.36, 5.51 A or (resid 39 and name HB2) (resid 36 and name HN) ! 0.2997 1816:10 ----- 6.18, 6.36 A assign (resid 37 and name HA) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.7176 1817:10 Ambig 5.28, 5.38 A or (resid 19 and name HA) (resid 36 and name HN) ! 0.1969 1817:10 ----- 6.54, 6.70 A assign (resid 53 and name HB2) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.0000 1818:10 Seq 2.84, 3.83 A assign (resid 122 and name HN) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.9726 1819:10 Long 3.17, 3.36 A assign (resid 121 and name HN) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.5170 1820:10 Ambig 4.72, 4.77 A or (resid 82 and name HN) (resid 70 and name HN) ! 0.4830 1820:10 ----- 4.77, 4.87 A assign (resid 69 and name HN) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.0000 1821:10 Seq 4.27, 4.35 A assign (resid 130 and name HG2*) (resid 132 and name HN) 3.65 1.85 1.85 ! 0.8712 1823:10 Ambig 4.78, 6.13 A or (resid 133 and name HG2*) (resid 132 and name HN) ! 0.1288 1823:10 ----- 6.58, 6.97 A assign (resid 135 and name HD1*) (resid 132 and name HN) 3.65 1.85 1.85 ! 0.6367 1824:10 Ambig 4.42, 7.15 A or (resid 135 and name HD2*) (resid 132 and name HN) ! 0.3633 1824:10 ----- 4.85, 6.80 A assign (resid 111 and name HA) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.9614 1825:10 Mid 3.40, 3.61 A assign (resid 76 and name HG11) (resid 76 and name HN) 3.15 1.35 1.35 ! 0.9876 1826:10 Intra 1.92, 3.73 A assign (resid 75 and name HN) (resid 76 and name HN) 2.30 0.50 0.50 ! 0.9952 1827:10 Seq 1.81, 2.07 A assign (resid 76 and name HN) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.6196 1828:10 Ambig 3.59, 3.77 A or (resid 73 and name HN) (resid 74 and name HN) ! 0.3444 1828:10 ----- 3.96, 4.55 A assign (resid 122 and name HD1*) (resid 121 and name HN) 2.65 0.85 0.85 ! 0.2992 1829:10 Ambig 4.08, 5.36 A or (resid 121 and name HD1*) (resid 121 and name HN) ! 0.2648 1829:10 ----- 4.16, 4.78 A or (resid 81 and name HG2*) (resid 82 and name HN) ! 0.1636 1829:10 ----- 4.51, 5.12 A or (resid 112 and name HD2*) (resid 121 and name HN) ! 0.1243 1829:10 ----- 4.72, 5.70 A or (resid 69 and name HD1*) (resid 82 and name HN) ! 0.0416 1829:10 ----- 5.66, 6.60 A or (resid 99 and name HG2*) (resid 82 and name HN) ! 0.0236 1829:10 ----- 6.23, 7.25 A assign (resid 66 and name HN) (resid 23 and name HB) 4.15 2.35 2.35 ! 0.0000 0:20 Long 5.09, 5.23 A assign (resid 25 and name HN) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.0000 1:20 Mid 2.46, 2.63 A assign (resid 24 and name HN) (resid 23 and name HB) 3.15 1.35 1.35 ! 0.9877 2:20 Seq 1.95, 2.09 A assign (resid 23 and name HA) (resid 23 and name HB) 3.15 1.35 1.35 ! 0.0000 3:20 Intra 2.45, 2.48 A assign (resid 62 and name HA) (resid 23 and name HB) 3.15 1.35 1.35 ! 0.9998 4:20 Long 2.23, 2.43 A assign (resid 63 and name HA) (resid 23 and name HB) 4.15 2.35 2.35 ! 0.7482 5:20 Ambig 4.83, 5.11 A or (resid 26 and name HA) (resid 23 and name HB) ! 0.1962 5:20 ----- 6.04, 6.20 A assign (resid 62 and name HB1) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.7742 6:20 Ambig 4.36, 4.61 A or (resid 64 and name HA) (resid 23 and name HB) ! 0.1703 6:20 ----- 5.61, 5.85 A assign (resid 62 and name HB2) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.6271 7:20 Ambig 4.67, 5.05 A or (resid 25 and name HA) (resid 23 and name HB) ! 0.3641 7:20 ----- 5.12, 5.32 A assign (resid 24 and name HA) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.9559 8:20 Seq 4.56, 4.65 A assign (resid 25 and name HE*) (resid 23 and name HB) 4.15 2.35 2.35 ! 0.7715 9:20 Ambig 4.15, 7.21 A or (resid 61 and name HB2) (resid 23 and name HB) ! 0.1407 9:20 ----- 5.51, 5.73 A assign (resid 65 and name HE*) (resid 23 and name HB) 4.15 2.35 2.35 ! 0.8235 10:20 Ambig 5.25, 7.13 A or (resid 21 and name HB1) (resid 23 and name HB) ! 0.1191 10:20 ----- 7.25, 7.43 A assign (resid 24 and name HB) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.9229 11:20 Seq 3.86, 3.96 A assign (resid 25 and name HB1) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.8213 12:20 Ambig 3.29, 4.37 A or (resid 64 and name HB) (resid 23 and name HB) ! 0.0918 12:20 ----- 4.74, 4.98 A assign (resid 125 and name HG*) (resid 126 and name HB) 4.15 2.35 2.35 ! 0.4939 13:20 Ambig 3.69, 5.69 A or (resid 125 and name HB2) (resid 126 and name HB) ! 0.4745 13:20 ----- 3.71, 4.84 A assign (resid 24 and name HG11) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.4996 14:20 Ambig 3.84, 3.98 A or (resid 25 and name HG*) (resid 23 and name HB) ! 0.4586 14:20 ----- 3.90, 5.62 A assign (resid 65 and name HD*) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.5555 15:20 Ambig 4.29, 7.21 A or (resid 65 and name HG2) (resid 23 and name HB) ! 0.3387 15:20 ----- 4.66, 4.99 A or (resid 65 and name HB2) (resid 23 and name HB) ! 0.0522 15:20 ----- 6.37, 6.85 A assign (resid 23 and name HG2*) (resid 23 and name HB) 2.65 0.85 0.85 ! 0.9936 16:20 Intra 2.42, 2.64 A assign (resid 66 and name HG12) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.3859 17:20 Ambig 5.16, 5.32 A or (resid 64 and name HG1*) (resid 23 and name HB) ! 0.1848 17:20 ----- 5.83, 6.77 A or (resid 22 and name HG2*) (resid 23 and name HB) ! 0.1662 17:20 ----- 5.94, 7.00 A or (resid 63 and name HB2) (resid 23 and name HB) ! 0.1614 17:20 ----- 5.97, 6.23 A or (resid 56 and name HD1*) (resid 23 and name HB) ! 0.0419 17:20 ----- 7.47, 8.39 A assign (resid 24 and name HD1*) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.0000 18:20 Seq 5.22, 6.00 A assign (resid 24 and name HG2*) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.4307 19:20 Ambig 5.87, 6.25 A or (resid 66 and name HG2*) (resid 23 and name HB) ! 0.4226 19:20 ----- 5.89, 7.10 A or (resid 28 and name HD1*) (resid 23 and name HB) ! 0.1467 19:20 ----- 7.03, 8.12 A assign (resid 50 and name HN) (resid 49 and name HA) 3.65 1.85 1.85 ! 0.6259 20:20 Ambig 3.48, 3.51 A or (resid 53 and name HN) (resid 49 and name HA) ! 0.3741 20:20 ----- 3.80, 3.89 A assign (resid 112 and name HN) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.9940 21:20 Mid 3.75, 3.93 A assign (resid 115 and name HN) (resid 116 and name HA) 3.65 1.85 1.85 ! 0.0000 22:20 Seq 4.19, 4.27 A assign (resid 52 and name HN) (resid 49 and name HA) 3.15 1.35 1.35 ! 0.9851 23:20 Mid 3.29, 3.40 A assign (resid 28 and name HN) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.9631 24:20 Mid 3.96, 4.16 A assign (resid 27 and name HN) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.9933 25:20 Mid 3.33, 3.50 A assign (resid 111 and name HN) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.0000 26:20 Mid 3.18, 3.33 A assign (resid 119 and name HN) (resid 116 and name HA) 3.65 1.85 1.85 ! 0.9172 27:20 Mid 4.21, 4.38 A assign (resid 49 and name HN) (resid 49 and name HA) 3.15 1.35 1.35 ! 0.9961 28:20 Intra 2.85, 2.87 A assign (resid 25 and name HN) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.9882 29:20 Seq 3.40, 3.46 A assign (resid 24 and name HN) (resid 24 and name HA) 3.15 1.35 1.35 ! 0.9926 30:20 Intra 2.80, 2.84 A assign (resid 115 and name HD*) (resid 49 and name HA) 4.15 2.35 2.35 ! 0.6413 31:20 Ambig 4.50, 6.28 A or (resid 48 and name HN) (resid 49 and name HA) ! 0.3433 31:20 ----- 5.00, 5.06 A assign (resid 108 and name HN) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.0000 32:20 Intra 2.81, 2.82 A assign (resid 70 and name HE*) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.5971 33:20 Ambig 4.77, 5.44 A or (resid 70 and name HD*) (resid 108 and name HA) ! 0.3105 33:20 ----- 5.32, 5.93 A assign (resid 115 and name HE*) (resid 49 and name HA) 3.65 1.85 1.85 ! 0.8963 34:20 Ambig 4.65, 6.51 A or (resid 68 and name HZ) (resid 49 and name HA) ! 0.1037 34:20 ----- 6.66, 6.94 A assign (resid 70 and name HZ) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.6523 35:20 Ambig 4.94, 5.20 A or (resid 79 and name HD*) (resid 108 and name HA) ! 0.2243 35:20 ----- 5.91, 6.47 A or (resid 79 and name HE*) (resid 108 and name HA) ! 0.1234 35:20 ----- 6.52, 6.95 A assign (resid 23 and name HA) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.0000 36:20 Seq 4.30, 4.33 A assign (resid 23 and name HB) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.9840 37:20 Seq 4.56, 4.65 A assign (resid 116 and name HB) (resid 116 and name HA) 2.65 0.85 0.85 ! 0.9905 38:20 Intra 2.99, 3.02 A assign (resid 61 and name HA) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.9264 39:20 Long 4.91, 5.01 A assign (resid 48 and name HA) (resid 49 and name HA) 3.65 1.85 1.85 ! 0.9393 40:20 Seq 4.65, 4.72 A assign (resid 52 and name HA) (resid 49 and name HA) 3.65 1.85 1.85 ! 0.8212 41:20 Ambig 4.91, 5.04 A or (resid 51 and name HA) (resid 49 and name HA) ! 0.1537 41:20 ----- 6.49, 6.58 A assign (resid 111 and name HA) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.5300 42:20 Ambig 5.05, 5.26 A or (resid 105 and name HA) (resid 108 and name HA) ! 0.4700 42:20 ----- 5.15, 5.35 A assign (resid 25 and name HA) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.8229 43:20 Ambig 4.71, 4.81 A or (resid 28 and name HA) (resid 24 and name HA) ! 0.1485 43:20 ----- 6.26, 6.43 A assign (resid 109 and name HA) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.7911 44:20 Ambig 4.65, 4.76 A or (resid 112 and name HA) (resid 108 and name HA) ! 0.2089 44:20 ----- 5.81, 6.03 A assign (resid 107 and name HB2) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.9207 45:20 Seq 4.10, 4.36 A assign (resid 131 and name HG2) (resid 130 and name HB) 3.65 1.85 1.85 ! 0.9536 46:20 Seq 3.18, 4.68 A assign (resid 131 and name HB*) (resid 130 and name HB) 3.65 1.85 1.85 ! 0.7647 47:20 Ambig 4.18, 5.98 A or (resid 134 and name HB1) (resid 130 and name HB) ! 0.1895 47:20 ----- 5.28, 6.40 A assign (resid 24 and name HB) (resid 24 and name HA) 3.15 1.35 1.35 ! 0.9733 48:20 Intra 3.02, 3.03 A assign (resid 49 and name HB) (resid 49 and name HA) 3.15 1.35 1.35 ! 0.9560 49:20 Intra 3.03, 3.04 A assign (resid 49 and name HB) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.7470 50:20 Ambig 5.35, 5.51 A or (resid 118 and name HB1) (resid 24 and name HA) ! 0.1383 50:20 ----- 7.09, 7.47 A or (resid 56 and name HB) (resid 24 and name HA) ! 0.0393 50:20 ----- 8.75, 8.93 A assign (resid 64 and name HB) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.3850 51:20 Ambig 5.36, 5.54 A or (resid 25 and name HB1) (resid 24 and name HA) ! 0.3023 51:20 ----- 5.58, 6.15 A or (resid 25 and name HD*) (resid 24 and name HA) ! 0.1216 51:20 ----- 6.50, 8.10 A or (resid 28 and name HB1) (resid 24 and name HA) ! 0.0935 51:20 ----- 6.79, 6.97 A assign (resid 52 and name HB1) (resid 49 and name HA) 3.15 1.35 1.35 ! 0.9969 52:20 Mid 2.18, 2.30 A assign (resid 111 and name HG) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.6563 53:20 Ambig 3.25, 3.40 A or (resid 111 and name HB1) (resid 108 and name HA) ! 0.2036 53:20 ----- 3.95, 4.15 A or (resid 110 and name HB*) (resid 108 and name HA) ! 0.0721 53:20 ----- 4.70, 5.68 A assign (resid 134 and name HB2) (resid 133 and name HB) 3.15 1.35 1.35 ! 0.8676 54:20 Ambig 3.82, 4.24 A or (resid 137 and name HB2) (resid 133 and name HB) ! 0.1254 54:20 ----- 5.28, 5.85 A assign (resid 116 and name HG2*) (resid 116 and name HB) 2.65 0.85 0.85 ! 0.0000 55:20 Intra 2.44, 2.66 A assign (resid 126 and name HG2*) (resid 126 and name HB) 2.30 0.50 0.50 ! 0.4605 56:20 Ambig 2.41, 2.65 A or (resid 133 and name HG2*) (resid 133 and name HB) ! 0.4258 56:20 ----- 2.44, 2.66 A or (resid 130 and name HG2*) (resid 133 and name HB) ! 0.1124 56:20 ----- 3.05, 5.82 A assign (resid 130 and name HG2*) (resid 130 and name HB) 2.65 0.85 0.85 ! 0.9944 57:20 Intra 2.39, 2.64 A assign (resid 119 and name HB) (resid 116 and name HA) 3.15 1.35 1.35 ! 0.8506 58:20 Ambig 3.69, 3.80 A or (resid 112 and name HG) (resid 116 and name HA) ! 0.0648 58:20 ----- 5.66, 5.85 A assign (resid 116 and name HG2*) (resid 116 and name HA) 2.65 0.85 0.85 ! 0.0000 59:20 Intra 2.36, 3.05 A assign (resid 52 and name HB2) (resid 49 and name HA) 3.15 1.35 1.35 ! 0.9894 60:20 Mid 2.85, 3.03 A assign (resid 24 and name HG11) (resid 24 and name HA) 3.15 1.35 1.35 ! 0.9647 61:20 Intra 2.98, 3.02 A assign (resid 52 and name HG) (resid 49 and name HA) 3.15 1.35 1.35 ! 0.6578 62:20 Ambig 4.30, 4.44 A or (resid 27 and name HB*) (resid 49 and name HA) ! 0.2259 62:20 ----- 5.14, 5.76 A or (resid 46 and name HG1) (resid 49 and name HA) ! 0.0906 62:20 ----- 5.98, 6.31 A assign (resid 27 and name HB*) (resid 24 and name HA) 2.65 0.85 0.85 ! 0.9819 63:20 Mid 2.70, 3.72 A assign (resid 56 and name HG2*) (resid 24 and name HA) 4.15 2.35 2.35 ! 0.5694 64:20 Ambig 6.47, 7.21 A or (resid 65 and name HG1) (resid 24 and name HA) ! 0.2157 64:20 ----- 7.61, 8.37 A or (resid 44 and name HG1*) (resid 24 and name HA) ! 0.2149 64:20 ----- 7.61, 8.96 A assign (resid 108 and name HB) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.8033 65:20 Ambig 3.03, 3.04 A or (resid 112 and name HG) (resid 108 and name HA) ! 0.1771 65:20 ----- 3.90, 4.06 A assign (resid 111 and name HB2) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.9963 66:20 Mid 2.32, 2.53 A assign (resid 112 and name HD2*) (resid 116 and name HA) 2.65 0.85 0.85 ! 0.5690 68:20 Ambig 3.74, 4.49 A or (resid 119 and name HD1*) (resid 116 and name HA) ! 0.3613 68:20 ----- 4.03, 5.14 A assign (resid 119 and name HG2*) (resid 116 and name HA) 3.65 1.85 1.85 ! 0.8827 69:20 Ambig 5.53, 6.12 A or (resid 108 and name HG1*) (resid 116 and name HA) ! 0.1173 69:20 ----- 7.74, 8.43 A assign (resid 49 and name HG2*) (resid 49 and name HA) 2.65 0.85 0.85 ! 0.3256 70:20 Ambig 2.53, 3.16 A or (resid 118 and name HD1*) (resid 49 and name HA) ! 0.3167 70:20 ----- 2.54, 3.38 A or (resid 49 and name HG1*) (resid 49 and name HA) ! 0.3047 70:20 ----- 2.56, 3.12 A assign (resid 24 and name HG12) (resid 24 and name HA) 2.65 0.85 0.85 ! 0.5371 71:20 Ambig 2.54, 2.57 A or (resid 49 and name HG1*) (resid 24 and name HA) ! 0.4146 71:20 ----- 2.65, 3.34 A assign (resid 66 and name HD1*) (resid 24 and name HA) 3.65 1.85 1.85 ! 0.9932 72:20 Long 2.46, 3.35 A assign (resid 111 and name HD1*) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.9566 73:20 Mid 2.24, 3.48 A assign (resid 108 and name HG1*) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.9841 74:20 Intra 2.55, 3.16 A assign (resid 24 and name HG2*) (resid 49 and name HA) 3.65 1.85 1.85 ! 0.7710 75:20 Ambig 3.80, 4.96 A or (resid 66 and name HG2*) (resid 49 and name HA) ! 0.1835 75:20 ----- 4.83, 6.15 A assign (resid 24 and name HG2*) (resid 24 and name HA) 3.15 1.35 1.35 ! 0.9832 76:20 Intra 2.56, 3.18 A assign (resid 108 and name HG2*) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.0000 77:20 Intra 2.45, 3.08 A assign (resid 71 and name HN) (resid 81 and name HA) 3.65 1.85 1.85 ! 0.0000 78:20 Long 3.99, 4.18 A assign (resid 66 and name HN) (resid 67 and name HA) 4.15 2.35 2.35 ! 0.0000 79:20 Seq 4.83, 4.88 A assign (resid 80 and name HN) (resid 73 and name HB*) 4.15 2.35 2.35 ! 0.0000 80:20 Long 4.38, 5.54 A assign (resid 45 and name HN) (resid 117 and name HB1) 3.15 1.35 1.35 ! 0.9902 81:20 Long 3.01, 3.23 A assign (resid 68 and name HN) (resid 67 and name HA) 3.15 1.35 1.35 ! 0.9937 82:20 Seq 2.29, 2.30 A assign (resid 45 and name HN) (resid 117 and name HB2) 3.15 1.35 1.35 ! 0.9922 83:20 Long 2.42, 2.58 A assign (resid 79 and name HN) (resid 73 and name HB*) 4.15 2.35 2.35 ! 0.7945 84:20 Ambig 4.60, 5.30 A or (resid 72 and name HN) (resid 73 and name HB*) ! 0.1039 84:20 ----- 6.46, 6.75 A or (resid 103 and name HN) (resid 73 and name HB*) ! 0.1016 84:20 ----- 6.48, 7.55 A assign (resid 53 and name HN) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.0000 85:20 Intra 2.75, 2.78 A assign (resid 53 and name HN) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.0000 86:20 Intra 2.59, 2.72 A assign (resid 53 and name HN) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.0000 87:20 Intra 2.62, 3.50 A assign (resid 95 and name HN) (resid 92 and name HB1) 4.15 2.35 2.35 ! 0.6970 88:20 Ambig 5.93, 6.16 A or (resid 101 and name HN) (resid 92 and name HB1) ! 0.3030 88:20 ----- 6.82, 9.16 A assign (resid 92 and name HN) (resid 92 and name HB1) 3.15 1.35 1.35 ! 0.0000 89:20 Intra 2.50, 3.05 A assign (resid 93 and name HN) (resid 92 and name HB1) 3.15 1.35 1.35 ! 0.9566 90:20 Seq 2.65, 3.64 A assign (resid 92 and name HN) (resid 92 and name HB2) 3.15 1.35 1.35 ! 0.9994 94:20 Intra 2.33, 2.78 A assign (resid 93 and name HN) (resid 92 and name HB2) 3.15 1.35 1.35 ! 0.5961 95:20 Ambig 2.67, 3.40 A or (resid 62 and name HN) (resid 62 and name HB1) ! 0.3446 95:20 ----- 2.92, 3.25 A assign (resid 65 and name HN) (resid 64 and name HA) 2.65 0.85 0.85 ! 0.7626 96:20 Ambig 1.98, 2.05 A or (resid 74 and name HN) (resid 74 and name HB2) ! 0.2281 96:20 ----- 2.42, 2.96 A assign (resid 95 and name HN) (resid 93 and name HA) 3.65 1.85 1.85 ! 0.0000 97:20 Mid 4.46, 4.60 A assign (resid 94 and name HN) (resid 93 and name HA) 3.15 1.35 1.35 ! 0.5189 98:20 Ambig 3.50, 3.54 A or (resid 96 and name HN) (resid 93 and name HA) ! 0.4728 98:20 ----- 3.56, 3.74 A assign (resid 93 and name HN) (resid 93 and name HA) 3.15 1.35 1.35 ! 0.9406 99:20 Intra 2.87, 2.89 A assign (resid 95 and name HN) (resid 91 and name HA) 3.65 1.85 1.85 ! 0.9952 100:20 Mid 3.53, 3.63 A assign (resid 94 and name HN) (resid 91 and name HA) 3.15 1.35 1.35 ! 0.9013 101:20 Mid 3.22, 3.39 A assign (resid 91 and name HN) (resid 91 and name HA) 3.15 1.35 1.35 ! 0.9975 102:20 Intra 2.81, 2.83 A assign (resid 52 and name HN) (resid 53 and name HA) 4.15 2.35 2.35 ! 0.7215 103:20 Ambig 5.20, 5.32 A or (resid 61 and name HN) (resid 53 and name HA) ! 0.2288 103:20 ----- 6.30, 6.54 A assign (resid 70 and name HD*) (resid 81 and name HA) 2.65 0.85 0.85 ! 0.9992 104:20 Long 2.03, 3.95 A assign (resid 54 and name HN) (resid 54 and name HB2) 3.65 1.85 1.85 ! 0.9827 105:20 Intra 2.43, 2.64 A assign (resid 25 and name HN) (resid 62 and name HB1) 3.65 1.85 1.85 ! 0.0000 107:20 Long 4.61, 4.97 A assign (resid 129 and name HD*) (resid 130 and name HA) 4.15 2.35 2.35 ! 0.0000 108:20 Seq 5.08, 6.69 A assign (resid 64 and name HN) (resid 64 and name HA) 3.15 1.35 1.35 ! 0.8777 109:20 Ambig 2.82, 2.85 A or (resid 86 and name HD1) (resid 64 and name HA) ! 0.0985 109:20 ----- 4.06, 4.37 A assign (resid 108 and name HN) (resid 106 and name HA) 4.15 2.35 2.35 ! 0.0000 110:20 Mid 4.26, 4.39 A assign (resid 14 and name HE*) (resid 82 and name HB1) 4.15 2.35 2.35 ! 0.6886 111:20 Ambig 5.10, 7.48 A or (resid 14 and name HD*) (resid 82 and name HB1) ! 0.1284 111:20 ----- 6.74, 8.79 A or (resid 37 and name HD21) (resid 16 and name HB1) ! 0.0936 111:20 ----- 7.11, 7.79 A assign (resid 80 and name HE*) (resid 73 and name HB*) 3.15 1.35 1.35 ! 0.9577 112:20 Long 2.25, 5.23 A assign (resid 80 and name HD*) (resid 73 and name HB*) 3.65 1.85 1.85 ! 0.0000 113:20 Long 3.18, 6.12 A assign (resid 129 and name HD*) (resid 128 and name HB2) 4.15 2.35 2.35 ! 0.6689 114:20 Ambig 3.24, 6.50 A or (resid 120 and name HD*) (resid 16 and name HB2) ! 0.2440 114:20 ----- 3.83, 6.73 A assign (resid 87 and name HD22) (resid 64 and name HA) 3.65 1.85 1.85 ! 0.8965 115:20 Ambig 2.01, 4.12 A or (resid 143 and name HD2) (resid 136 and name HB*) ! 0.0596 115:20 ----- 3.16, 7.92 A assign (resid 37 and name HD21) (resid 17 and name HB*) 3.65 1.85 1.85 ! 0.7555 116:20 Ambig 2.29, 3.71 A or (resid 14 and name HD*) (resid 17 and name HB*) ! 0.2445 116:20 ----- 2.76, 4.83 A assign (resid 120 and name HD*) (resid 17 and name HB*) 3.65 1.85 1.85 ! 0.0000 117:20 Long 4.23, 6.54 A assign (resid 56 and name HN) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.5295 118:20 Ambig 3.08, 3.22 A or (resid 54 and name HN) (resid 53 and name HA) ! 0.3215 118:20 ----- 3.35, 3.46 A or (resid 61 and name HZ2) (resid 53 and name HA) ! 0.1445 118:20 ----- 3.83, 4.04 A assign (resid 68 and name HE*) (resid 91 and name HA) 3.65 1.85 1.85 ! 0.5647 119:20 Ambig 5.50, 6.35 A or (resid 70 and name HE*) (resid 91 and name HA) ! 0.4353 119:20 ----- 5.74, 6.78 A assign (resid 61 and name HZ2) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.6331 120:20 Ambig 2.59, 2.90 A or (resid 54 and name HN) (resid 53 and name HB2) ! 0.3656 120:20 ----- 2.84, 3.83 A assign (resid 120 and name HE*) (resid 120 and name HZ) 3.15 1.35 1.35 ! 0.9976 121:20 Intra 2.42, 2.45 A assign (resid 59 and name HE*) (resid 57 and name HA) 3.65 1.85 1.85 ! 0.0000 122:20 Mid 4.70, 6.17 A assign (resid 120 and name HE*) (resid 16 and name HB1) 3.65 1.85 1.85 ! 0.7259 123:20 Ambig 3.07, 6.05 A or (resid 38 and name HD22) (resid 16 and name HB1) ! 0.2665 123:20 ----- 3.62, 4.80 A assign (resid 79 and name HD*) (resid 73 and name HB*) 4.15 2.35 2.35 ! 0.0000 124:20 Long 5.66, 6.68 A assign (resid 21 and name HE*) (resid 17 and name HB*) 3.65 1.85 1.85 ! 0.6758 125:20 Ambig 4.73, 7.08 A or (resid 120 and name HE*) (resid 17 and name HB*) ! 0.2918 125:20 ----- 5.44, 7.44 A assign (resid 61 and name HD1) (resid 53 and name HA) 4.15 2.35 2.35 ! 0.0000 126:20 Long 3.78, 4.18 A assign (resid 70 and name HZ) (resid 91 and name HA) 4.15 2.35 2.35 ! 0.4352 127:20 Ambig 5.18, 5.39 A or (resid 115 and name HE*) (resid 91 and name HA) ! 0.3109 127:20 ----- 5.48, 7.81 A or (resid 68 and name HZ) (resid 91 and name HA) ! 0.2539 127:20 ----- 5.67, 5.93 A assign (resid 70 and name HA) (resid 81 and name HA) 3.15 1.35 1.35 ! 0.0000 128:20 Long 2.83, 3.04 A assign (resid 117 and name HA) (resid 117 and name HB1) 3.15 1.35 1.35 ! 0.0000 129:20 Intra 2.34, 2.42 A assign (resid 80 and name HA) (resid 81 and name HA) 3.65 1.85 1.85 ! 0.7161 130:20 Ambig 4.30, 4.34 A or (resid 102 and name HA) (resid 81 and name HA) ! 0.2839 130:20 ----- 5.02, 5.22 A assign (resid 117 and name HA) (resid 117 and name HB2) 2.65 0.85 0.85 ! 0.0000 131:20 Intra 2.46, 2.48 A assign (resid 79 and name HA) (resid 73 and name HB*) 3.65 1.85 1.85 ! 0.7031 132:20 Ambig 3.81, 4.51 A or (resid 78 and name HA) (resid 73 and name HB*) ! 0.2843 132:20 ----- 4.43, 4.91 A assign (resid 124 and name HA) (resid 124 and name HB1) 2.65 0.85 0.85 ! 0.9990 133:20 Intra 2.35, 2.69 A assign (resid 116 and name HB) (resid 117 and name HB1) 3.65 1.85 1.85 ! 0.8496 136:20 Ambig 3.72, 3.99 A or (resid 45 and name HA) (resid 117 and name HB1) ! 0.1398 136:20 ----- 5.03, 5.22 A assign (resid 92 and name HA) (resid 92 and name HB1) 2.65 0.85 0.85 ! 0.9936 138:20 Intra 2.34, 2.62 A assign (resid 54 and name HA) (resid 54 and name HB2) 2.65 0.85 0.85 ! 0.9991 143:20 Intra 2.48, 2.87 A assign (resid 62 and name HA) (resid 62 and name HB1) 2.30 0.50 0.50 ! 0.0000 144:20 Intra 2.23, 2.29 A assign (resid 74 and name HA) (resid 74 and name HB2) 2.65 0.85 0.85 ! 0.0000 146:20 Intra 2.53, 2.80 A assign (resid 92 and name HB1) (resid 93 and name HA) 4.15 2.35 2.35 ! 0.9201 147:20 Seq 4.28, 4.82 A assign (resid 16 and name HA) (resid 16 and name HB1) 2.65 0.85 0.85 ! 0.5796 148:20 Ambig 2.36, 2.41 A or (resid 82 and name HA) (resid 82 and name HB1) ! 0.4132 148:20 ----- 2.50, 2.66 A assign (resid 128 and name HA) (resid 128 and name HB2) 2.65 0.85 0.85 ! 0.0000 150:20 Intra 2.44, 2.71 A assign (resid 100 and name HA) (resid 100 and name HB2) 2.30 0.50 0.50 ! 0.9765 152:20 Intra 2.52, 2.70 A assign (resid 74 and name HA) (resid 74 and name HB1) 2.30 0.50 0.50 ! 0.0000 153:20 Intra 2.21, 2.36 A assign (resid 17 and name HA) (resid 17 and name HB*) 2.30 0.50 0.50 ! 0.9997 154:20 Intra 2.36, 2.71 A assign (resid 133 and name HA) (resid 136 and name HB*) 2.30 0.50 0.50 ! 0.5370 155:20 Ambig 2.24, 3.61 A or (resid 136 and name HA) (resid 136 and name HB*) ! 0.4264 155:20 ----- 2.33, 2.71 A assign (resid 92 and name HB1) (resid 91 and name HA) 3.65 1.85 1.85 ! 0.4626 156:20 Ambig 5.72, 6.22 A or (resid 95 and name HA) (resid 91 and name HA) ! 0.3916 156:20 ----- 5.88, 6.01 A or (resid 99 and name HA) (resid 91 and name HA) ! 0.0550 156:20 ----- 8.16, 8.47 A assign (resid 90 and name HA) (resid 91 and name HA) 3.15 1.35 1.35 ! 0.4815 157:20 Ambig 4.77, 4.81 A or (resid 94 and name HA) (resid 91 and name HA) ! 0.3132 157:20 ----- 5.12, 5.31 A or (resid 92 and name HB2) (resid 91 and name HA) ! 0.1794 157:20 ----- 5.62, 5.99 A assign (resid 52 and name HA) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.7652 158:20 Ambig 4.71, 4.78 A or (resid 51 and name HA) (resid 53 and name HA) ! 0.1262 158:20 ----- 6.37, 6.57 A or (resid 57 and name HD1) (resid 53 and name HA) ! 0.0606 158:20 ----- 7.20, 7.46 A assign (resid 125 and name HD*) (resid 125 and name HA) 3.65 1.85 1.85 ! 0.0000 160:20 Intra 3.32, 3.81 A assign (resid 57 and name HD2) (resid 57 and name HA) 3.65 1.85 1.85 ! 0.8352 161:20 Ambig 4.00, 4.02 A or (resid 91 and name HA) (resid 92 and name HB1) ! 0.0970 161:20 ----- 5.72, 6.22 A assign (resid 18 and name HD1) (resid 17 and name HB*) 2.65 0.85 0.85 ! 0.8065 162:20 Ambig 2.96, 3.75 A or (resid 14 and name HB2) (resid 17 and name HB*) ! 0.1901 162:20 ----- 3.76, 5.08 A assign (resid 53 and name HA) (resid 53 and name HB1) 3.15 1.35 1.35 ! 0.9901 163:20 Intra 2.32, 2.36 A assign (resid 53 and name HA) (resid 53 and name HB2) 3.15 1.35 1.35 ! 0.9939 164:20 Intra 2.50, 2.56 A assign (resid 45 and name HE*) (resid 117 and name HB1) 4.15 2.35 2.35 ! 0.9884 165:20 Long 3.71, 4.37 A assign (resid 57 and name HB1) (resid 57 and name HA) 2.65 0.85 0.85 ! 0.0000 166:20 Intra 2.26, 2.26 A assign (resid 88 and name HE2) (resid 81 and name HA) 3.15 1.35 1.35 ! 0.4257 167:20 Ambig 4.87, 5.10 A or (resid 80 and name HB2) (resid 81 and name HA) ! 0.3921 167:20 ----- 4.94, 5.09 A or (resid 101 and name HB1) (resid 81 and name HA) ! 0.1432 167:20 ----- 5.84, 6.29 A assign (resid 105 and name HB*) (resid 106 and name HA) 3.15 1.35 1.35 ! 0.6117 168:20 Ambig 4.09, 5.02 A or (resid 110 and name HE*) (resid 106 and name HA) ! 0.3531 168:20 ----- 4.49, 6.24 A assign (resid 38 and name HB1) (resid 15 and name HB*) 2.65 0.85 0.85 ! 0.9999 169:20 Long 1.85, 2.79 A assign (resid 38 and name HB2) (resid 15 and name HB*) 2.65 0.85 0.85 ! 0.5075 170:20 Ambig 3.33, 4.22 A or (resid 37 and name HB1) (resid 15 and name HB*) ! 0.2447 170:20 ----- 3.76, 5.06 A or (resid 37 and name HB2) (resid 15 and name HB*) ! 0.1820 170:20 ----- 3.95, 5.19 A assign (resid 14 and name HB1) (resid 17 and name HB*) 3.65 1.85 1.85 ! 0.9850 171:20 Mid 2.10, 3.46 A assign (resid 18 and name HD2) (resid 17 and name HB*) 2.65 0.85 0.85 ! 0.8271 172:20 Ambig 2.23, 3.22 A or (resid 37 and name HB2) (resid 17 and name HB*) ! 0.1247 172:20 ----- 3.05, 4.73 A assign (resid 53 and name HB1) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.9976 173:20 Intra 2.32, 2.36 A assign (resid 53 and name HB2) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.0000 174:20 Intra 2.50, 2.56 A assign (resid 125 and name HB1) (resid 125 and name HA) 2.65 0.85 0.85 ! 0.0000 179:20 Intra 2.24, 2.29 A assign (resid 98 and name HG2) (resid 92 and name HB1) 3.15 1.35 1.35 ! 0.6195 180:20 Ambig 3.27, 6.67 A or (resid 57 and name HG1) (resid 57 and name HA) ! 0.2560 180:20 ----- 3.79, 3.84 A or (resid 89 and name HB2) (resid 92 and name HB1) ! 0.0721 180:20 ----- 4.69, 5.64 A assign (resid 125 and name HB2) (resid 125 and name HA) 2.30 0.50 0.50 ! 0.6099 181:20 Ambig 2.68, 2.82 A or (resid 125 and name HG*) (resid 125 and name HA) ! 0.3901 181:20 ----- 2.89, 3.77 A assign (resid 93 and name HG11) (resid 92 and name HB1) 2.65 0.85 0.85 ! 0.7152 182:20 Ambig 2.79, 4.02 A or (resid 57 and name HG2) (resid 57 and name HA) ! 0.1050 182:20 ----- 3.84, 3.90 A or (resid 98 and name HB1) (resid 92 and name HB1) ! 0.0525 182:20 ----- 4.31, 5.93 A or (resid 91 and name HB) (resid 92 and name HB1) ! 0.0438 182:20 ----- 4.44, 5.21 A assign (resid 57 and name HB2) (resid 57 and name HA) 2.65 0.85 0.85 ! 0.7447 183:20 Ambig 2.80, 2.83 A or (resid 89 and name HG1) (resid 92 and name HB1) ! 0.1759 183:20 ----- 3.56, 4.70 A assign (resid 81 and name HB) (resid 81 and name HA) 2.65 0.85 0.85 ! 0.9225 184:20 Intra 3.01, 3.03 A assign (resid 67 and name HB2) (resid 67 and name HA) 2.65 0.85 0.85 ! 0.0000 186:20 Intra 2.90, 2.92 A assign (resid 51 and name HB*) (resid 54 and name HB2) 3.15 1.35 1.35 ! 0.5320 187:20 Ambig 4.02, 5.15 A or (resid 50 and name HB*) (resid 54 and name HB2) ! 0.1436 187:20 ----- 5.00, 6.42 A or (resid 132 and name HB2) (resid 133 and name HA) ! 0.0906 187:20 ----- 5.39, 5.58 A or (resid 134 and name HB1) (resid 133 and name HA) ! 0.0753 187:20 ----- 5.56, 5.86 A or (resid 55 and name HB1) (resid 54 and name HB2) ! 0.0677 187:20 ----- 5.66, 6.13 A assign (resid 18 and name HB1) (resid 18 and name HA) 2.65 0.85 0.85 ! 0.9980 188:20 Intra 2.24, 2.28 A assign (resid 99 and name HB) (resid 92 and name HB2) 3.15 1.35 1.35 ! 0.5405 189:20 Ambig 2.65, 4.15 A or (resid 93 and name HG11) (resid 92 and name HB2) ! 0.3089 189:20 ----- 2.90, 3.81 A or (resid 98 and name HB1) (resid 92 and name HB2) ! 0.0601 189:20 ----- 3.82, 6.30 A assign (resid 25 and name HD*) (resid 62 and name HB1) 2.65 0.85 0.85 ! 0.9604 190:20 Long 1.92, 2.93 A assign (resid 64 and name HB) (resid 64 and name HA) 2.65 0.85 0.85 ! 0.0000 191:20 Intra 3.03, 3.03 A assign (resid 8 and name HB) (resid 8 and name HA) 2.65 0.85 0.85 ! 0.0000 192:20 Intra 2.38, 2.83 A assign (resid 5 and name HB) (resid 5 and name HA) 2.30 0.50 0.50 ! 0.5055 193:20 Ambig 3.01, 3.04 A or (resid 76 and name HB) (resid 76 and name HA) ! 0.4945 193:20 ----- 3.03, 3.05 A assign (resid 93 and name HG11) (resid 93 and name HA) 2.65 0.85 0.85 ! 0.9793 194:20 Intra 2.86, 2.92 A assign (resid 89 and name HG1) (resid 93 and name HA) 3.65 1.85 1.85 ! 0.4595 195:20 Ambig 6.09, 6.46 A or (resid 97 and name HB*) (resid 93 and name HA) ! 0.2042 195:20 ----- 6.97, 7.95 A or (resid 90 and name HB*) (resid 93 and name HA) ! 0.1242 195:20 ----- 7.57, 7.99 A or (resid 56 and name HG12) (resid 93 and name HA) ! 0.0870 195:20 ----- 8.04, 8.31 A or (resid 55 and name HG2) (resid 93 and name HA) ! 0.0526 195:20 ----- 8.74, 9.55 A assign (resid 109 and name HG1) (resid 106 and name HA) 3.15 1.35 1.35 ! 0.9994 196:20 Mid 2.52, 3.08 A assign (resid 106 and name HB) (resid 106 and name HA) 2.30 0.50 0.50 ! 0.9997 197:20 Intra 2.43, 2.46 A assign (resid 69 and name HB) (resid 82 and name HB1) 2.30 0.50 0.50 ! 0.9438 198:20 Long 1.96, 2.68 A assign (resid 69 and name HB) (resid 82 and name HB2) 2.65 0.85 0.85 ! 0.9071 199:20 Long 2.03, 2.54 A assign (resid 78 and name HG1) (resid 73 and name HB*) 3.15 1.35 1.35 ! 0.9703 200:20 Long 3.60, 4.59 A assign (resid 78 and name HB1) (resid 73 and name HB*) 3.15 1.35 1.35 ! 0.8619 201:20 Ambig 3.38, 4.19 A or (resid 75 and name HB2) (resid 73 and name HB*) ! 0.1128 201:20 ----- 4.74, 6.54 A assign (resid 13 and name HB) (resid 13 and name HA) 2.65 0.85 0.85 ! 0.0000 202:20 Intra 3.03, 3.04 A assign (resid 91 and name HB) (resid 91 and name HA) 2.65 0.85 0.85 ! 0.7885 203:20 Ambig 3.04, 3.04 A or (resid 94 and name HB1) (resid 91 and name HA) ! 0.1573 203:20 ----- 3.97, 4.22 A assign (resid 56 and name HB) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.9135 204:20 Mid 4.31, 4.42 A assign (resid 52 and name HB1) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.6865 205:20 Ambig 4.14, 4.24 A or (resid 56 and name HG12) (resid 53 and name HA) ! 0.2296 205:20 ----- 4.97, 5.09 A assign (resid 45 and name HD*) (resid 117 and name HB1) 3.65 1.85 1.85 ! 0.9987 206:20 Long 1.93, 2.79 A assign (resid 45 and name HB2) (resid 117 and name HB1) 3.15 1.35 1.35 ! 0.9923 207:20 Long 2.96, 3.15 A assign (resid 45 and name HG*) (resid 117 and name HB1) 3.65 1.85 1.85 ! 0.9947 208:20 Long 3.78, 4.43 A assign (resid 123 and name HB2) (resid 125 and name HA) 4.15 2.35 2.35 ! 0.9147 209:20 Mid 4.79, 5.36 A assign (resid 99 and name HG1*) (resid 92 and name HB1) 3.65 1.85 1.85 ! 0.8944 210:20 Ambig 4.15, 5.71 A or (resid 88 and name HG2) (resid 92 and name HB1) ! 0.0532 210:20 ----- 6.63, 8.02 A assign (resid 126 and name HG2*) (resid 125 and name HA) 4.15 2.35 2.35 ! 0.0000 211:20 Seq 4.45, 6.55 A assign (resid 66 and name HB) (resid 67 and name HA) 2.65 0.85 0.85 ! 0.9316 213:20 Seq 1.98, 2.03 A assign (resid 45 and name HD*) (resid 117 and name HB2) 2.65 0.85 0.85 ! 0.9466 214:20 Long 2.49, 3.56 A assign (resid 45 and name HB2) (resid 117 and name HB2) 2.65 0.85 0.85 ! 0.6737 215:20 Ambig 3.58, 3.71 A or (resid 110 and name HG1) (resid 106 and name HA) ! 0.2882 215:20 ----- 4.12, 4.44 A assign (resid 45 and name HG*) (resid 117 and name HB2) 3.15 1.35 1.35 ! 0.5497 216:20 Ambig 4.91, 5.32 A or (resid 110 and name HG2) (resid 106 and name HA) ! 0.3308 216:20 ----- 5.34, 5.89 A or (resid 111 and name HB2) (resid 106 and name HA) ! 0.0318 216:20 ----- 7.89, 8.12 A assign (resid 133 and name HG2*) (resid 133 and name HA) 2.30 0.50 0.50 ! 0.9956 217:20 Intra 2.44, 3.09 A assign (resid 25 and name HB2) (resid 62 and name HB1) 2.65 0.85 0.85 ! 0.0000 218:20 Long 3.17, 3.49 A assign (resid 25 and name HG*) (resid 62 and name HB1) 3.15 1.35 1.35 ! 0.9849 219:20 Long 1.83, 4.50 A assign (resid 130 and name HG2*) (resid 130 and name HA) 2.65 0.85 0.85 ! 0.9572 220:20 Intra 2.34, 3.30 A assign (resid 139 and name HB2) (resid 136 and name HB*) 3.15 1.35 1.35 ! 0.4995 221:20 Ambig 4.47, 5.69 A or (resid 24 and name HG11) (resid 64 and name HA) ! 0.2958 221:20 ----- 4.88, 5.04 A or (resid 65 and name HB1) (resid 64 and name HA) ! 0.1493 221:20 ----- 5.47, 5.54 A assign (resid 64 and name HG2*) (resid 64 and name HA) 2.65 0.85 0.85 ! 0.9611 222:20 Intra 2.48, 3.08 A assign (resid 8 and name HG11) (resid 8 and name HA) 3.15 1.35 1.35 ! 0.8153 223:20 Ambig 2.51, 3.21 A or (resid 11 and name HG*) (resid 8 and name HA) ! 0.1847 223:20 ----- 3.22, 7.60 A assign (resid 76 and name HG11) (resid 76 and name HA) 3.15 1.35 1.35 ! 0.7483 224:20 Ambig 2.58, 3.23 A or (resid 5 and name HG11) (resid 5 and name HA) ! 0.2517 224:20 ----- 3.09, 3.67 A assign (resid 8 and name HG12) (resid 8 and name HA) 2.65 0.85 0.85 ! 0.9820 226:20 Intra 2.53, 2.94 A assign (resid 94 and name HG) (resid 93 and name HA) 3.65 1.85 1.85 ! 0.3621 228:20 Ambig 5.40, 5.49 A or (resid 94 and name HB2) (resid 93 and name HA) ! 0.2470 228:20 ----- 5.76, 5.82 A or (resid 95 and name HB2) (resid 93 and name HA) ! 0.1987 228:20 ----- 5.97, 6.19 A or (resid 56 and name HG11) (resid 93 and name HA) ! 0.1260 228:20 ----- 6.44, 6.67 A assign (resid 93 and name HG2*) (resid 93 and name HA) 2.65 0.85 0.85 ! 0.9996 229:20 Intra 2.59, 3.22 A assign (resid 106 and name HG2*) (resid 106 and name HA) 2.65 0.85 0.85 ! 0.9132 230:20 Intra 2.50, 3.13 A assign (resid 127 and name HG*) (resid 128 and name HB1) 3.15 1.35 1.35 ! 0.6560 231:20 Ambig 3.67, 6.84 A or (resid 71 and name HG11) (resid 82 and name HB1) ! 0.1728 231:20 ----- 4.58, 4.71 A or (resid 69 and name HG11) (resid 82 and name HB1) ! 0.1161 231:20 ----- 4.89, 5.52 A assign (resid 72 and name HD*) (resid 73 and name HB*) 3.65 1.85 1.85 ! 0.8465 232:20 Ambig 3.04, 6.08 A or (resid 76 and name HG11) (resid 73 and name HB*) ! 0.1408 232:20 ----- 4.10, 5.62 A assign (resid 76 and name HG12) (resid 73 and name HB*) 3.65 1.85 1.85 ! 0.9838 233:20 Mid 4.02, 5.23 A assign (resid 135 and name HB*) (resid 136 and name HB*) 3.15 1.35 1.35 ! 0.4520 234:20 Ambig 4.33, 5.66 A or (resid 137 and name HB2) (resid 136 and name HB*) ! 0.3395 234:20 ----- 4.54, 5.54 A or (resid 90 and name HB*) (resid 64 and name HA) ! 0.2084 234:20 ----- 4.92, 5.79 A assign (resid 69 and name HG12) (resid 17 and name HB*) 3.15 1.35 1.35 ! 0.9328 235:20 Long 3.14, 4.34 A assign (resid 56 and name HG11) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.4331 236:20 Ambig 5.91, 6.00 A or (resid 28 and name HG) (resid 53 and name HA) ! 0.3966 236:20 ----- 6.00, 6.52 A or (resid 94 and name HG) (resid 53 and name HA) ! 0.0889 236:20 ----- 7.69, 7.97 A assign (resid 91 and name HG12) (resid 91 and name HA) 2.65 0.85 0.85 ! 0.6996 237:20 Ambig 3.18, 3.23 A or (resid 91 and name HG11) (resid 91 and name HA) ! 0.2499 237:20 ----- 3.78, 3.81 A assign (resid 56 and name HG2*) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.9995 238:20 Mid 1.97, 2.52 A assign (resid 36 and name HD2*) (resid 120 and name HZ) 3.65 1.85 1.85 ! 0.9997 239:20 Long 2.22, 3.35 A assign (resid 34 and name HD1*) (resid 120 and name HZ) 4.15 2.35 2.35 ! 0.9800 240:20 Long 2.50, 3.75 A assign (resid 44 and name HG2*) (resid 117 and name HB1) 3.65 1.85 1.85 ! 0.5856 241:20 Ambig 4.90, 6.18 A or (resid 44 and name HD1*) (resid 117 and name HB1) ! 0.3122 241:20 ----- 5.44, 8.16 A or (resid 32 and name HD2*) (resid 117 and name HB1) ! 0.0485 241:20 ----- 7.42, 8.70 A assign (resid 122 and name HG2*) (resid 125 and name HA) 4.15 2.35 2.35 ! 0.5745 242:20 Ambig 6.35, 7.89 A or (resid 123 and name HD2*) (resid 125 and name HA) ! 0.4255 242:20 ----- 6.68, 8.27 A assign (resid 81 and name HG1*) (resid 81 and name HA) 2.65 0.85 0.85 ! 0.9890 243:20 Intra 2.45, 3.08 A assign (resid 81 and name HG2*) (resid 81 and name HA) 2.30 0.50 0.50 ! 0.9668 244:20 Intra 2.51, 3.20 A assign (resid 66 and name HD1*) (resid 67 and name HA) 3.15 1.35 1.35 ! 0.8178 246:20 Ambig 4.24, 5.05 A or (resid 103 and name HG2*) (resid 81 and name HA) ! 0.1382 246:20 ----- 5.70, 6.76 A assign (resid 99 and name HD1*) (resid 92 and name HB2) 2.65 0.85 0.85 ! 0.6826 247:20 Ambig 2.23, 4.33 A or (resid 34 and name HD1*) (resid 18 and name HA) ! 0.2759 247:20 ----- 2.59, 3.63 A assign (resid 36 and name HD2*) (resid 18 and name HA) 2.65 0.85 0.85 ! 0.0000 248:20 Long 2.12, 3.11 A assign (resid 63 and name HD2*) (resid 62 and name HB1) 3.65 1.85 1.85 ! 0.7215 249:20 Ambig 4.88, 6.33 A or (resid 58 and name HD1*) (resid 62 and name HB1) ! 0.2785 249:20 ----- 5.72, 7.30 A assign (resid 8 and name HG2*) (resid 8 and name HA) 2.65 0.85 0.85 ! 0.7833 250:20 Ambig 2.38, 3.25 A or (resid 10 and name HD1*) (resid 8 and name HA) ! 0.2167 250:20 ----- 2.95, 7.53 A assign (resid 5 and name HD1*) (resid 5 and name HA) 2.30 0.50 0.50 ! 0.3631 251:20 Ambig 2.11, 3.33 A or (resid 76 and name HD1*) (resid 76 and name HA) ! 0.3235 251:20 ----- 2.15, 3.74 A or (resid 76 and name HG2*) (resid 76 and name HA) ! 0.1592 251:20 ----- 2.42, 3.09 A or (resid 5 and name HG2*) (resid 5 and name HA) ! 0.1448 251:20 ----- 2.46, 3.14 A assign (resid 5 and name HD1*) (resid 5 and name HA) 2.65 0.85 0.85 ! 0.5288 252:20 Ambig 2.11, 3.33 A or (resid 76 and name HD1*) (resid 76 and name HA) ! 0.4712 252:20 ----- 2.15, 3.74 A assign (resid 93 and name HD1*) (resid 93 and name HA) 3.15 1.35 1.35 ! 0.9605 253:20 Intra 4.39, 4.62 A assign (resid 60 and name HD1*) (resid 93 and name HA) 4.15 2.35 2.35 ! 0.5714 254:20 Ambig 6.98, 7.41 A or (resid 94 and name HD1*) (resid 93 and name HA) ! 0.4286 254:20 ----- 7.32, 7.82 A assign (resid 69 and name HG2*) (resid 82 and name HB1) 3.15 1.35 1.35 ! 0.9408 255:20 Long 2.29, 3.59 A assign (resid 69 and name HG2*) (resid 82 and name HB2) 2.65 0.85 0.85 ! 0.9278 256:20 Long 2.05, 3.29 A assign (resid 76 and name HD1*) (resid 73 and name HB*) 2.65 0.85 0.85 ! 0.6379 257:20 Ambig 3.35, 5.85 A or (resid 76 and name HG2*) (resid 73 and name HB*) ! 0.3482 257:20 ----- 3.71, 5.43 A assign (resid 13 and name HG2*) (resid 13 and name HA) 2.65 0.85 0.85 ! 0.9963 258:20 Intra 2.46, 3.15 A assign (resid 63 and name HD2*) (resid 62 and name HB2) 3.65 1.85 1.85 ! 0.9586 259:20 Seq 3.59, 4.96 A assign (resid 64 and name HG1*) (resid 64 and name HA) 2.65 0.85 0.85 ! 0.0000 260:20 Intra 2.54, 3.16 A assign (resid 122 and name HD1*) (resid 17 and name HB*) 2.30 0.50 0.50 ! 0.9082 261:20 Long 2.86, 4.39 A assign (resid 56 and name HD1*) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.4134 262:20 Ambig 4.66, 5.67 A or (resid 24 and name HG12) (resid 53 and name HA) ! 0.1983 262:20 ----- 5.27, 5.54 A or (resid 49 and name HG1*) (resid 53 and name HA) ! 0.1971 262:20 ----- 5.28, 6.14 A or (resid 94 and name HD2*) (resid 53 and name HA) ! 0.1356 262:20 ----- 5.62, 6.67 A assign (resid 24 and name HD1*) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.9903 263:20 Long 3.30, 4.53 A assign (resid 52 and name HD2*) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.3841 264:20 Ambig 4.73, 5.57 A or (resid 52 and name HD1*) (resid 53 and name HA) ! 0.3322 264:20 ----- 4.85, 5.60 A or (resid 28 and name HD2*) (resid 53 and name HA) ! 0.2168 264:20 ----- 5.20, 6.84 A assign (resid 91 and name HG2*) (resid 91 and name HA) 2.30 0.50 0.50 ! 0.9296 265:20 Intra 2.51, 3.12 A assign (resid 94 and name HD1*) (resid 91 and name HA) 2.65 0.85 0.85 ! 0.9942 266:20 Mid 2.32, 3.61 A assign (resid 91 and name HD1*) (resid 91 and name HA) 3.15 1.35 1.35 ! 0.9998 267:20 Intra 2.18, 3.00 A assign (resid 49 and name HG1*) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.8478 268:20 Ambig 3.31, 4.41 A or (resid 24 and name HG12) (resid 53 and name HB1) ! 0.1010 268:20 ----- 4.71, 5.10 A assign (resid 24 and name HD1*) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.0000 269:20 Long 3.74, 4.98 A assign (resid 28 and name HD2*) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.9147 270:20 Long 2.93, 4.66 A assign (resid 49 and name HG1*) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.7096 271:20 Ambig 4.73, 5.90 A or (resid 24 and name HG12) (resid 53 and name HB2) ! 0.1232 271:20 ----- 6.33, 6.64 A or (resid 56 and name HD1*) (resid 53 and name HB2) ! 0.0972 271:20 ----- 6.59, 7.84 A assign (resid 24 and name HD1*) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.0000 272:20 Long 4.96, 6.12 A assign (resid 28 and name HD2*) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.9156 273:20 Long 3.83, 5.18 A assign (resid 103 and name HD1*) (resid 81 and name HA) 3.65 1.85 1.85 ! 0.0000 274:20 Long 4.73, 5.65 A assign (resid 66 and name HG2*) (resid 67 and name HA) 3.15 1.35 1.35 ! 0.9955 275:20 Seq 3.22, 4.02 A assign (resid 63 and name HD1*) (resid 62 and name HB1) 4.15 2.35 2.35 ! 0.0000 276:20 Seq 6.98, 7.56 A assign (resid 24 and name HG2*) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.9349 277:20 Long 2.74, 3.88 A assign (resid 28 and name HD1*) (resid 53 and name HB1) 3.15 1.35 1.35 ! 0.5033 278:20 Ambig 2.11, 3.74 A or (resid 24 and name HG2*) (resid 53 and name HB1) ! 0.4964 278:20 ----- 2.11, 2.64 A assign (resid 28 and name HD1*) (resid 53 and name HB2) 3.15 1.35 1.35 ! 0.8559 279:20 Ambig 2.57, 3.92 A or (resid 24 and name HG2*) (resid 53 and name HB2) ! 0.1436 279:20 ----- 3.47, 4.05 A assign (resid 66 and name HN) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.0000 280:20 Long 2.70, 2.84 A assign (resid 80 and name HN) (resid 102 and name HA) 4.15 2.35 2.35 ! 0.0000 281:20 Long 4.50, 4.66 A assign (resid 71 and name HN) (resid 71 and name HA) 3.65 1.85 1.85 ! 0.0000 282:20 Intra 2.91, 2.93 A assign (resid 66 and name HN) (resid 22 and name HA) 3.65 1.85 1.85 ! 0.0000 283:20 Long 4.86, 4.96 A assign (resid 23 and name HN) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.0000 284:20 Intra 2.87, 2.88 A assign (resid 103 and name HN) (resid 102 and name HA) 2.65 0.85 0.85 ! 0.9769 285:20 Seq 2.05, 2.14 A assign (resid 122 and name HN) (resid 121 and name HA) 2.65 0.85 0.85 ! 0.9936 286:20 Seq 2.05, 2.09 A assign (resid 70 and name HN) (resid 121 and name HA) 3.15 1.35 1.35 ! 0.0000 287:20 Long 2.65, 2.73 A assign (resid 36 and name HN) (resid 41 and name HA) 4.15 2.35 2.35 ! 0.9970 288:20 Long 2.97, 3.14 A assign (resid 45 and name HN) (resid 117 and name HA) 3.65 1.85 1.85 ! 0.9028 289:20 Long 4.66, 4.81 A assign (resid 72 and name HN) (resid 71 and name HA) 3.15 1.35 1.35 ! 0.8561 290:20 Ambig 2.07, 2.17 A or (resid 122 and name HN) (resid 71 and name HA) ! 0.1435 290:20 ----- 2.79, 2.98 A assign (resid 70 and name HN) (resid 69 and name HA) 2.65 0.85 0.85 ! 0.0000 291:20 Seq 2.12, 2.16 A assign (resid 103 and name HN) (resid 103 and name HA) 3.15 1.35 1.35 ! 0.9461 292:20 Intra 2.88, 2.90 A assign (resid 100 and name HN) (resid 100 and name HA) 3.15 1.35 1.35 ! 0.5208 293:20 Ambig 2.83, 2.87 A or (resid 68 and name HN) (resid 68 and name HA) ! 0.4603 293:20 ----- 2.89, 2.90 A assign (resid 53 and name HN) (resid 51 and name HA) 3.65 1.85 1.85 ! 0.0000 294:20 Mid 4.36, 4.55 A assign (resid 112 and name HN) (resid 110 and name HA) 3.65 1.85 1.85 ! 0.0000 295:20 Mid 4.44, 4.57 A assign (resid 53 and name HN) (resid 52 and name HA) 3.65 1.85 1.85 ! 0.0000 296:20 Seq 3.53, 3.55 A assign (resid 112 and name HN) (resid 111 and name HA) 3.15 1.35 1.35 ! 0.9917 297:20 Seq 3.52, 3.54 A assign (resid 44 and name HN) (resid 44 and name HA) 3.15 1.35 1.35 ! 0.9992 298:20 Intra 2.83, 2.90 A assign (resid 45 and name HN) (resid 44 and name HA) 2.65 0.85 0.85 ! 0.9938 299:20 Seq 2.19, 2.26 A assign (resid 112 and name HN) (resid 109 and name HA) 3.15 1.35 1.35 ! 0.0000 300:20 Mid 3.03, 3.25 A assign (resid 50 and name HN) (resid 50 and name HA) 2.65 0.85 0.85 ! 0.7069 301:20 Ambig 2.78, 2.80 A or (resid 53 and name HN) (resid 50 and name HA) ! 0.2931 301:20 ----- 3.22, 3.51 A assign (resid 112 and name HN) (resid 112 and name HA) 3.15 1.35 1.35 ! 0.9899 302:20 Intra 2.77, 2.80 A assign (resid 65 and name HN) (resid 23 and name HA) 4.15 2.35 2.35 ! 0.8948 303:20 Ambig 4.50, 4.66 A or (resid 28 and name HN) (resid 23 and name HA) ! 0.0586 303:20 ----- 7.09, 7.18 A assign (resid 27 and name HN) (resid 22 and name HA) 3.65 1.85 1.85 ! 0.8738 304:20 Ambig 5.32, 5.50 A or (resid 31 and name HN) (resid 22 and name HA) ! 0.1262 304:20 ----- 7.34, 7.58 A assign (resid 61 and name HN) (resid 61 and name HA) 3.65 1.85 1.85 ! 0.9966 305:20 Intra 2.78, 2.82 A assign (resid 92 and name HN) (resid 99 and name HA) 4.15 2.35 2.35 ! 0.7001 306:20 Ambig 6.20, 6.49 A or (resid 27 and name HN) (resid 61 and name HA) ! 0.2464 306:20 ----- 7.38, 7.53 A assign (resid 89 and name HN) (resid 86 and name HA) 3.65 1.85 1.85 ! 0.8153 307:20 Ambig 3.07, 3.31 A or (resid 90 and name HN) (resid 86 and name HA) ! 0.1822 307:20 ----- 3.95, 3.99 A assign (resid 52 and name HN) (resid 51 and name HA) 3.65 1.85 1.85 ! 0.0000 308:20 Seq 3.35, 3.45 A assign (resid 51 and name HN) (resid 51 and name HA) 3.15 1.35 1.35 ! 0.0000 309:20 Intra 2.81, 2.85 A assign (resid 111 and name HN) (resid 110 and name HA) 3.15 1.35 1.35 ! 0.0000 310:20 Seq 3.49, 3.51 A assign (resid 52 and name HN) (resid 48 and name HA) 3.65 1.85 1.85 ! 0.0000 311:20 Mid 3.96, 4.12 A assign (resid 51 and name HN) (resid 48 and name HA) 3.65 1.85 1.85 ! 0.0000 312:20 Mid 3.30, 3.48 A assign (resid 52 and name HN) (resid 52 and name HA) 3.15 1.35 1.35 ! 0.9992 313:20 Intra 2.79, 2.82 A assign (resid 89 and name HN) (resid 89 and name HA) 3.15 1.35 1.35 ! 0.5623 314:20 Ambig 2.79, 2.81 A or (resid 92 and name HN) (resid 89 and name HA) ! 0.2888 314:20 ----- 3.12, 3.32 A or (resid 90 and name HN) (resid 89 and name HA) ! 0.1452 314:20 ----- 3.49, 3.51 A assign (resid 115 and name HN) (resid 113 and name HA) 3.65 1.85 1.85 ! 0.9478 315:20 Mid 4.33, 4.67 A assign (resid 95 and name HN) (resid 94 and name HA) 3.65 1.85 1.85 ! 0.7980 316:20 Ambig 3.53, 3.55 A or (resid 129 and name HN) (resid 132 and name HA) ! 0.1830 316:20 ----- 4.51, 5.82 A assign (resid 111 and name HN) (resid 111 and name HA) 3.15 1.35 1.35 ! 0.9975 317:20 Intra 2.77, 2.80 A assign (resid 92 and name HN) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.9080 318:20 Mid 4.08, 4.24 A assign (resid 91 and name HN) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.9733 319:20 Mid 3.30, 3.44 A assign (resid 52 and name HN) (resid 50 and name HA) 3.15 1.35 1.35 ! 0.9621 320:20 Mid 3.94, 4.24 A assign (resid 111 and name HN) (resid 109 and name HA) 3.65 1.85 1.85 ! 0.0000 321:20 Mid 4.23, 4.39 A assign (resid 27 and name HN) (resid 25 and name HA) 3.65 1.85 1.85 ! 0.9594 322:20 Mid 4.30, 4.56 A assign (resid 28 and name HN) (resid 28 and name HA) 3.15 1.35 1.35 ! 0.9821 323:20 Intra 2.83, 2.84 A assign (resid 115 and name HN) (resid 112 and name HA) 3.65 1.85 1.85 ! 0.0000 324:20 Mid 3.59, 3.71 A assign (resid 111 and name HN) (resid 112 and name HA) 3.65 1.85 1.85 ! 0.9257 325:20 Seq 5.26, 5.31 A assign (resid 61 and name HN) (resid 58 and name HA) 4.15 2.35 2.35 ! 0.0000 326:20 Mid 3.59, 3.67 A assign (resid 25 and name HN) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.0000 327:20 Mid 4.14, 4.24 A assign (resid 24 and name HN) (resid 23 and name HA) 3.15 1.35 1.35 ! 0.9834 328:20 Seq 2.46, 2.56 A assign (resid 80 and name HD*) (resid 102 and name HA) 3.65 1.85 1.85 ! 0.7160 329:20 Ambig 4.46, 5.38 A or (resid 70 and name HD*) (resid 102 and name HA) ! 0.2840 329:20 ----- 5.20, 7.47 A assign (resid 70 and name HD*) (resid 121 and name HA) 3.65 1.85 1.85 ! 0.9276 330:20 Long 3.77, 5.17 A assign (resid 119 and name HN) (resid 117 and name HA) 3.15 1.35 1.35 ! 0.0000 331:20 Mid 3.43, 3.54 A assign (resid 70 and name HD*) (resid 69 and name HA) 3.65 1.85 1.85 ! 0.6589 332:20 Ambig 3.87, 5.17 A or (resid 120 and name HD*) (resid 69 and name HA) ! 0.2226 332:20 ----- 4.64, 5.53 A or (resid 70 and name HE*) (resid 69 and name HA) ! 0.1185 332:20 ----- 5.15, 6.24 A assign (resid 14 and name HD*) (resid 14 and name HA) 2.65 0.85 0.85 ! 0.9237 334:20 Intra 2.77, 3.47 A assign (resid 54 and name HN) (resid 54 and name HA) 3.65 1.85 1.85 ! 0.6412 335:20 Ambig 2.80, 2.85 A or (resid 61 and name HZ2) (resid 54 and name HA) ! 0.3588 335:20 ----- 3.09, 3.67 A assign (resid 61 and name HH2) (resid 54 and name HA) 3.65 1.85 1.85 ! 0.8873 336:20 Ambig 4.54, 5.07 A or (resid 55 and name HE) (resid 54 and name HA) ! 0.1127 336:20 ----- 6.41, 7.36 A assign (resid 25 and name HN) (resid 61 and name HA) 3.65 1.85 1.85 ! 0.0000 337:20 Long 3.67, 3.85 A assign (resid 24 and name HN) (resid 61 and name HA) 3.15 1.35 1.35 ! 0.6188 338:20 Ambig 3.51, 3.67 A or (resid 64 and name HN) (resid 61 and name HA) ! 0.3618 338:20 ----- 3.84, 4.01 A assign (resid 63 and name HN) (resid 61 and name HA) 3.15 1.35 1.35 ! 0.8152 339:20 Ambig 3.70, 3.82 A or (resid 60 and name HN) (resid 61 and name HA) ! 0.1665 339:20 ----- 4.82, 4.88 A assign (resid 129 and name HD*) (resid 129 and name HA) 3.15 1.35 1.35 ! 0.0000 340:20 Intra 2.05, 3.64 A assign (resid 86 and name HE3) (resid 86 and name HA) 2.65 0.85 0.85 ! 0.9393 341:20 Intra 2.18, 2.31 A assign (resid 68 and name HD*) (resid 68 and name HA) 2.65 0.85 0.85 ! 0.9710 343:20 Intra 2.73, 3.58 A assign (resid 60 and name HN) (resid 59 and name HA) 3.65 1.85 1.85 ! 0.9857 344:20 Seq 3.43, 3.49 A assign (resid 59 and name HD*) (resid 59 and name HA) 3.15 1.35 1.35 ! 0.0000 345:20 Intra 2.71, 3.67 A assign (resid 49 and name HN) (resid 48 and name HA) 3.65 1.85 1.85 ! 0.0000 346:20 Seq 3.37, 3.41 A assign (resid 86 and name HE3) (resid 89 and name HA) 4.15 2.35 2.35 ! 0.9417 347:20 Mid 5.96, 6.24 A assign (resid 115 and name HD*) (resid 52 and name HA) 3.65 1.85 1.85 ! 0.5691 348:20 Ambig 4.40, 5.49 A or (resid 55 and name HE) (resid 52 and name HA) ! 0.3949 348:20 ----- 4.67, 5.42 A assign (resid 108 and name HN) (resid 105 and name HA) 3.15 1.35 1.35 ! 0.7450 349:20 Ambig 3.24, 3.35 A or (resid 105 and name HD21) (resid 105 and name HA) ! 0.2488 349:20 ----- 3.89, 4.21 A assign (resid 14 and name HD*) (resid 11 and name HA) 3.15 1.35 1.35 ! 0.6682 350:20 Ambig 3.64, 5.42 A or (resid 68 and name HD*) (resid 66 and name HA) ! 0.1544 350:20 ----- 4.65, 4.98 A or (resid 110 and name HN) (resid 111 and name HA) ! 0.0828 350:20 ----- 5.16, 5.25 A assign (resid 115 and name HD*) (resid 111 and name HA) 2.65 0.85 0.85 ! 0.8811 351:20 Ambig 2.74, 4.92 A or (resid 129 and name HD*) (resid 131 and name HA) ! 0.0619 351:20 ----- 4.27, 7.22 A assign (resid 49 and name HN) (resid 46 and name HA) 3.65 1.85 1.85 ! 0.9990 352:20 Mid 3.05, 3.19 A assign (resid 49 and name HN) (resid 50 and name HA) 3.65 1.85 1.85 ! 0.9711 353:20 Seq 4.96, 5.06 A assign (resid 110 and name HN) (resid 109 and name HA) 3.65 1.85 1.85 ! 0.0000 354:20 Seq 3.49, 3.52 A assign (resid 25 and name HN) (resid 25 and name HA) 3.15 1.35 1.35 ! 0.0000 355:20 Intra 2.79, 2.81 A assign (resid 61 and name HZ3) (resid 25 and name HA) 3.65 1.85 1.85 ! 0.9083 356:20 Long 4.67, 5.21 A assign (resid 29 and name HN) (resid 28 and name HA) 4.15 2.35 2.35 ! 0.5530 357:20 Ambig 3.40, 3.43 A or (resid 30 and name HN) (resid 28 and name HA) ! 0.4442 357:20 ----- 3.53, 3.64 A assign (resid 115 and name HD*) (resid 112 and name HA) 3.65 1.85 1.85 ! 0.6452 358:20 Ambig 5.27, 6.68 A or (resid 70 and name HD*) (resid 112 and name HA) ! 0.1747 358:20 ----- 6.55, 8.48 A or (resid 61 and name HE3) (resid 28 and name HA) ! 0.0864 358:20 ----- 7.36, 7.63 A assign (resid 61 and name HZ2) (resid 58 and name HA) 3.65 1.85 1.85 ! 0.9678 359:20 Mid 3.91, 4.03 A assign (resid 60 and name HN) (resid 58 and name HA) 3.65 1.85 1.85 ! 0.7884 360:20 Ambig 4.04, 4.11 A or (resid 61 and name HZ3) (resid 58 and name HA) ! 0.2116 360:20 ----- 5.03, 5.56 A assign (resid 41 and name HD*) (resid 41 and name HA) 3.15 1.35 1.35 ! 0.0000 361:20 Intra 2.55, 3.48 A assign (resid 61 and name HD1) (resid 61 and name HA) 3.15 1.35 1.35 ! 0.0000 363:20 Intra 2.49, 2.67 A assign (resid 129 and name HE*) (resid 129 and name HA) 4.15 2.35 2.35 ! 0.0000 364:20 Intra 4.27, 5.51 A assign (resid 59 and name HE*) (resid 59 and name HA) 3.65 1.85 1.85 ! 0.0000 365:20 Intra 5.04, 5.65 A assign (resid 115 and name HE*) (resid 48 and name HA) 3.65 1.85 1.85 ! 0.9965 366:20 Long 3.72, 6.06 A assign (resid 115 and name HE*) (resid 52 and name HA) 3.15 1.35 1.35 ! 0.9962 367:20 Long 2.39, 3.77 A assign (resid 79 and name HE*) (resid 105 and name HA) 2.65 0.85 0.85 ! 0.9645 368:20 Long 1.96, 3.89 A assign (resid 42 and name HD2) (resid 44 and name HA) 3.65 1.85 1.85 ! 0.9443 369:20 Mid 3.45, 3.62 A assign (resid 61 and name HD1) (resid 58 and name HA) 3.65 1.85 1.85 ! 0.0000 370:20 Mid 3.08, 3.27 A assign (resid 70 and name HA) (resid 121 and name HA) 4.15 2.35 2.35 ! 0.0000 371:20 Long 4.75, 4.82 A assign (resid 70 and name HA) (resid 71 and name HA) 3.65 1.85 1.85 ! 0.0000 372:20 Seq 4.32, 4.36 A assign (resid 23 and name HA) (resid 62 and name HA) 3.65 1.85 1.85 ! 0.0000 374:20 Long 4.59, 4.86 A assign (resid 23 and name HB) (resid 23 and name HA) 3.15 1.35 1.35 ! 0.9972 375:20 Intra 2.45, 2.48 A assign (resid 65 and name HA) (resid 23 and name HA) 3.15 1.35 1.35 ! 0.0000 376:20 Long 2.08, 2.23 A assign (resid 69 and name HA) (resid 121 and name HA) 3.15 1.35 1.35 ! 0.5512 377:20 Ambig 4.26, 4.36 A or (resid 71 and name HA) (resid 121 and name HA) ! 0.4226 377:20 ----- 4.45, 4.63 A assign (resid 104 and name HA) (resid 103 and name HA) 3.65 1.85 1.85 ! 0.5136 378:20 Ambig 4.22, 4.29 A or (resid 102 and name HA) (resid 103 and name HA) ! 0.4488 378:20 ----- 4.32, 4.39 A assign (resid 121 and name HA) (resid 122 and name HA) 3.65 1.85 1.85 ! 0.0000 379:20 Seq 4.32, 4.35 A assign (resid 23 and name HB) (resid 62 and name HA) 2.65 0.85 0.85 ! 0.0000 380:20 Long 2.23, 2.43 A assign (resid 115 and name HA) (resid 48 and name HA) 3.15 1.35 1.35 ! 0.0000 381:20 Long 3.89, 4.38 A assign (resid 23 and name HB) (resid 25 and name HA) 3.65 1.85 1.85 ! 0.9598 382:20 Mid 5.12, 5.32 A assign (resid 62 and name HA) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.9431 383:20 Long 4.59, 4.86 A assign (resid 103 and name HA) (resid 102 and name HA) 3.65 1.85 1.85 ! 0.0000 384:20 Seq 4.32, 4.39 A assign (resid 122 and name HA) (resid 121 and name HA) 3.65 1.85 1.85 ! 0.8723 385:20 Ambig 4.32, 4.35 A or (resid 123 and name HA) (resid 121 and name HA) ! 0.1097 385:20 ----- 6.10, 6.26 A assign (resid 117 and name HB1) (resid 117 and name HA) 2.30 0.50 0.50 ! 0.9998 386:20 Intra 2.34, 2.42 A assign (resid 116 and name HB) (resid 117 and name HA) 3.65 1.85 1.85 ! 0.9584 387:20 Seq 4.06, 4.22 A assign (resid 117 and name HB2) (resid 117 and name HA) 2.65 0.85 0.85 ! 0.9761 388:20 Intra 2.46, 2.48 A assign (resid 54 and name HB1) (resid 54 and name HA) 2.30 0.50 0.50 ! 0.5954 389:20 Ambig 2.32, 2.53 A or (resid 54 and name HB2) (resid 54 and name HA) ! 0.4046 389:20 ----- 2.48, 2.87 A assign (resid 62 and name HB1) (resid 62 and name HA) 2.65 0.85 0.85 ! 0.9653 390:20 Intra 2.23, 2.29 A assign (resid 74 and name HB2) (resid 74 and name HA) 2.65 0.85 0.85 ! 0.9969 391:20 Intra 2.53, 2.80 A assign (resid 32 and name HA) (resid 46 and name HA) 3.65 1.85 1.85 ! 0.6399 392:20 Ambig 5.71, 5.81 A or (resid 30 and name HA1) (resid 46 and name HA) ! 0.1267 392:20 ----- 7.47, 8.24 A or (resid 118 and name HA) (resid 46 and name HA) ! 0.0988 392:20 ----- 7.79, 8.35 A or (resid 117 and name HB1) (resid 46 and name HA) ! 0.0821 392:20 ----- 8.03, 8.24 A assign (resid 45 and name HA) (resid 46 and name HA) 3.15 1.35 1.35 ! 0.9919 393:20 Seq 4.28, 4.31 A assign (resid 47 and name HA) (resid 50 and name HA) 3.65 1.85 1.85 ! 0.9342 394:20 Mid 5.15, 5.50 A assign (resid 57 and name HA) (resid 58 and name HA) 3.65 1.85 1.85 ! 0.0000 395:20 Seq 4.26, 4.29 A assign (resid 24 and name HA) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.9776 396:20 Seq 4.30, 4.33 A assign (resid 35 and name HA) (resid 41 and name HA) 2.65 0.85 0.85 ! 0.0000 397:20 Long 2.24, 2.47 A assign (resid 82 and name HB2) (resid 71 and name HA) 4.15 2.35 2.35 ! 0.0000 398:20 Long 5.41, 5.85 A assign (resid 15 and name HB*) (resid 15 and name HA) 2.65 0.85 0.85 ! 0.9974 400:20 Intra 2.32, 2.63 A assign (resid 61 and name HB1) (resid 61 and name HA) 3.15 1.35 1.35 ! 0.9993 401:20 Intra 2.43, 2.50 A assign (resid 24 and name HA) (resid 61 and name HA) 3.65 1.85 1.85 ! 0.8971 402:20 Ambig 4.91, 5.01 A or (resid 86 and name HB1) (resid 61 and name HA) ! 0.1029 402:20 ----- 7.05, 7.19 A assign (resid 62 and name HB2) (resid 62 and name HA) 2.65 0.85 0.85 ! 0.0000 403:20 Intra 2.55, 2.77 A assign (resid 61 and name HB1) (resid 62 and name HA) 3.15 1.35 1.35 ! 0.9900 404:20 Seq 4.31, 4.40 A assign (resid 86 and name HB1) (resid 86 and name HA) 2.65 0.85 0.85 ! 0.8018 405:20 Ambig 2.38, 2.41 A or (resid 86 and name HB2) (resid 86 and name HA) ! 0.1954 405:20 ----- 3.01, 3.03 A assign (resid 128 and name HB1) (resid 128 and name HA) 2.30 0.50 0.50 ! 0.5693 406:20 Ambig 2.30, 2.69 A or (resid 128 and name HB2) (resid 128 and name HA) ! 0.4026 406:20 ----- 2.44, 2.71 A assign (resid 136 and name HB*) (resid 136 and name HA) 2.30 0.50 0.50 ! 0.0000 407:20 Intra 2.33, 2.71 A assign (resid 74 and name HB1) (resid 74 and name HA) 2.65 0.85 0.85 ! 0.0000 408:20 Intra 2.21, 2.36 A assign (resid 91 and name HA) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.7183 409:20 Ambig 5.34, 5.55 A or (resid 67 and name HD*) (resid 44 and name HA) ! 0.2051 409:20 ----- 6.58, 7.43 A assign (resid 61 and name HB1) (resid 25 and name HA) 3.65 1.85 1.85 ! 0.9975 410:20 Long 3.08, 3.45 A assign (resid 61 and name HB1) (resid 58 and name HA) 3.65 1.85 1.85 ! 0.0000 411:20 Mid 4.81, 4.92 A assign (resid 65 and name HE*) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.5465 412:20 Ambig 4.74, 6.43 A or (resid 21 and name HB1) (resid 23 and name HA) ! 0.4429 412:20 ----- 4.91, 5.09 A assign (resid 80 and name HB1) (resid 102 and name HA) 3.65 1.85 1.85 ! 0.0000 413:20 Long 4.62, 4.82 A assign (resid 80 and name HB2) (resid 102 and name HA) 3.65 1.85 1.85 ! 0.7175 414:20 Ambig 5.32, 5.48 A or (resid 88 and name HE2) (resid 102 and name HA) ! 0.2278 414:20 ----- 6.45, 6.96 A assign (resid 79 and name HB1) (resid 102 and name HA) 4.15 2.35 2.35 ! 0.0000 415:20 Long 5.21, 5.35 A assign (resid 70 and name HB2) (resid 121 and name HA) 3.15 1.35 1.35 ! 0.9335 416:20 Long 2.69, 2.84 A assign (resid 42 and name HB*) (resid 41 and name HA) 3.65 1.85 1.85 ! 0.5958 417:20 Ambig 4.18, 4.44 A or (resid 40 and name HB2) (resid 41 and name HA) ! 0.2468 417:20 ----- 4.84, 5.00 A or (resid 35 and name HD1) (resid 41 and name HA) ! 0.1520 417:20 ----- 5.24, 6.56 A assign (resid 41 and name HB1) (resid 41 and name HA) 2.65 0.85 0.85 ! 0.9991 418:20 Intra 2.45, 2.50 A assign (resid 41 and name HB2) (resid 41 and name HA) 2.65 0.85 0.85 ! 0.9772 419:20 Intra 2.99, 3.01 A assign (resid 26 and name HB1) (resid 22 and name HA) 3.15 1.35 1.35 ! 0.7002 420:20 Ambig 3.72, 3.91 A or (resid 31 and name HE*) (resid 22 and name HA) ! 0.2898 420:20 ----- 4.31, 6.79 A assign (resid 26 and name HB2) (resid 22 and name HA) 3.65 1.85 1.85 ! 0.8466 421:20 Ambig 3.14, 3.39 A or (resid 21 and name HB2) (resid 22 and name HA) ! 0.1534 421:20 ----- 4.18, 4.30 A assign (resid 41 and name HB2) (resid 40 and name HA) 3.65 1.85 1.85 ! 0.9728 423:20 Seq 4.37, 4.53 A assign (resid 37 and name HB1) (resid 15 and name HA) 2.65 0.85 0.85 ! 0.4991 424:20 Ambig 1.87, 2.77 A or (resid 37 and name HB2) (resid 15 and name HA) ! 0.4984 424:20 ----- 1.87, 2.76 A assign (resid 107 and name HB2) (resid 103 and name HA) 3.15 1.35 1.35 ! 0.9462 425:20 Mid 4.28, 4.44 A assign (resid 129 and name HB*) (resid 129 and name HA) 2.65 0.85 0.85 ! 0.0000 426:20 Intra 2.41, 2.71 A assign (resid 113 and name HD*) (resid 110 and name HA) 3.65 1.85 1.85 ! 0.0000 428:20 Mid 3.17, 5.04 A assign (resid 59 and name HB1) (resid 59 and name HA) 2.65 0.85 0.85 ! 0.9818 429:20 Intra 2.33, 2.34 A assign (resid 59 and name HB2) (resid 59 and name HA) 2.65 0.85 0.85 ! 0.0000 430:20 Intra 2.99, 3.00 A assign (resid 88 and name HE1) (resid 85 and name HA) 3.15 1.35 1.35 ! 0.7278 431:20 Ambig 3.31, 3.92 A or (resid 110 and name HE*) (resid 110 and name HA) ! 0.1740 431:20 ----- 4.20, 5.29 A assign (resid 48 and name HG1) (resid 48 and name HA) 2.65 0.85 0.85 ! 0.7994 432:20 Ambig 3.17, 3.25 A or (resid 47 and name HB1) (resid 48 and name HA) ! 0.1983 432:20 ----- 4.00, 4.25 A assign (resid 113 and name HD*) (resid 113 and name HA) 3.15 1.35 1.35 ! 0.8156 433:20 Ambig 2.22, 3.63 A or (resid 55 and name HD*) (resid 52 and name HA) ! 0.1822 433:20 ----- 2.84, 4.02 A assign (resid 105 and name HB*) (resid 105 and name HA) 2.30 0.50 0.50 ! 0.9593 434:20 Intra 2.40, 2.69 A assign (resid 138 and name HG1) (resid 138 and name HA) 3.15 1.35 1.35 ! 0.0000 435:20 Intra 2.61, 3.35 A assign (resid 88 and name HE2) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.5024 436:20 Ambig 4.99, 5.08 A or (resid 88 and name HE1) (resid 88 and name HA) ! 0.4409 436:20 ----- 5.10, 5.26 A assign (resid 46 and name HE2) (resid 46 and name HA) 3.65 1.85 1.85 ! 0.8310 437:20 Ambig 4.55, 5.11 A or (resid 45 and name HE*) (resid 46 and name HA) ! 0.1429 437:20 ----- 6.10, 7.22 A assign (resid 53 and name HB2) (resid 50 and name HA) 3.65 1.85 1.85 ! 0.9936 438:20 Mid 2.96, 4.46 A assign (resid 25 and name HE*) (resid 25 and name HA) 3.15 1.35 1.35 ! 0.5886 439:20 Ambig 3.92, 5.04 A or (resid 61 and name HB2) (resid 25 and name HA) ! 0.3102 439:20 ----- 4.36, 4.81 A or (resid 53 and name HB1) (resid 25 and name HA) ! 0.1012 439:20 ----- 5.25, 5.91 A assign (resid 46 and name HE2) (resid 28 and name HA) 3.15 1.35 1.35 ! 0.9975 440:20 Long 1.96, 2.61 A assign (resid 22 and name HB) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.5746 441:20 Ambig 4.65, 4.75 A or (resid 24 and name HB) (resid 23 and name HA) ! 0.4170 441:20 ----- 4.91, 5.00 A assign (resid 64 and name HB) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.5703 442:20 Ambig 4.74, 4.94 A or (resid 25 and name HB1) (resid 23 and name HA) ! 0.3104 442:20 ----- 5.24, 6.29 A or (resid 25 and name HD*) (resid 23 and name HA) ! 0.0519 442:20 ----- 7.06, 8.06 A assign (resid 102 and name HB) (resid 102 and name HA) 3.15 1.35 1.35 ! 0.9431 443:20 Intra 2.48, 2.53 A assign (resid 122 and name HB) (resid 121 and name HA) 3.65 1.85 1.85 ! 0.7643 444:20 Ambig 4.40, 4.59 A or (resid 72 and name HB1) (resid 121 and name HA) ! 0.1048 444:20 ----- 6.12, 6.57 A or (resid 69 and name HB) (resid 121 and name HA) ! 0.0684 444:20 ----- 6.57, 6.74 A assign (resid 121 and name HB) (resid 121 and name HA) 3.15 1.35 1.35 ! 0.9971 445:20 Intra 3.03, 3.04 A assign (resid 36 and name HB1) (resid 41 and name HA) 3.65 1.85 1.85 ! 0.4408 446:20 Ambig 5.74, 5.88 A or (resid 43 and name HG1) (resid 41 and name HA) ! 0.4104 446:20 ----- 5.81, 6.42 A or (resid 20 and name HG1) (resid 41 and name HA) ! 0.1488 446:20 ----- 6.88, 7.25 A assign (resid 118 and name HB1) (resid 117 and name HA) 4.15 2.35 2.35 ! 0.5303 447:20 Ambig 6.41, 6.50 A or (resid 45 and name HB1) (resid 117 and name HA) ! 0.3591 447:20 ----- 6.85, 7.00 A or (resid 43 and name HG2) (resid 117 and name HA) ! 0.1106 447:20 ----- 8.33, 9.75 A assign (resid 122 and name HB) (resid 71 and name HA) 2.65 0.85 0.85 ! 0.9167 448:20 Long 2.00, 2.44 A assign (resid 31 and name HB1) (resid 22 and name HA) 3.65 1.85 1.85 ! 0.8572 449:20 Ambig 4.73, 5.12 A or (resid 25 and name HB1) (resid 22 and name HA) ! 0.0991 449:20 ----- 6.78, 7.81 A assign (resid 22 and name HB) (resid 22 and name HA) 2.65 0.85 0.85 ! 0.9945 450:20 Intra 2.45, 2.47 A assign (resid 24 and name HB) (resid 61 and name HA) 2.65 0.85 0.85 ! 0.9998 451:20 Long 1.92, 2.03 A assign (resid 103 and name HB) (resid 103 and name HA) 2.65 0.85 0.85 ! 0.9216 452:20 Intra 2.51, 2.53 A assign (resid 99 and name HB) (resid 99 and name HA) 2.65 0.85 0.85 ! 0.8320 453:20 Ambig 3.00, 3.04 A or (resid 98 and name HB2) (resid 99 and name HA) ! 0.0853 453:20 ----- 4.39, 4.74 A assign (resid 89 and name HB1) (resid 86 and name HA) 2.65 0.85 0.85 ! 0.7907 454:20 Ambig 2.28, 2.39 A or (resid 89 and name HB2) (resid 86 and name HA) ! 0.1971 454:20 ----- 2.88, 3.17 A assign (resid 89 and name HD*) (resid 86 and name HA) 2.65 0.85 0.85 ! 0.4314 455:20 Ambig 2.61, 4.10 A or (resid 25 and name HB1) (resid 62 and name HA) ! 0.3906 455:20 ----- 2.65, 3.78 A or (resid 25 and name HD*) (resid 62 and name HA) ! 0.1489 455:20 ----- 3.12, 4.04 A assign (resid 132 and name HB1) (resid 128 and name HA) 4.15 2.35 2.35 ! 0.9408 456:20 Mid 2.64, 4.52 A assign (resid 5 and name HB) (resid 2 and name HA) 3.65 1.85 1.85 ! 0.8417 457:20 Ambig 2.29, 7.62 A or (resid 2 and name HB) (resid 2 and name HA) ! 0.1583 457:20 ----- 3.03, 3.06 A assign (resid 139 and name HG) (resid 136 and name HA) 3.15 1.35 1.35 ! 0.9079 458:20 Mid 2.88, 4.11 A assign (resid 51 and name HB*) (resid 51 and name HA) 2.65 0.85 0.85 ! 0.9731 459:20 Intra 2.35, 2.45 A assign (resid 110 and name HB*) (resid 110 and name HA) 2.30 0.50 0.50 ! 0.9549 460:20 Intra 2.43, 2.76 A assign (resid 48 and name HG2) (resid 48 and name HA) 2.65 0.85 0.85 ! 0.9986 461:20 Intra 2.38, 2.50 A assign (resid 93 and name HG11) (resid 89 and name HA) 2.65 0.85 0.85 ! 0.2527 462:20 Ambig 3.98, 4.13 A or (resid 89 and name HD*) (resid 89 and name HA) ! 0.1863 462:20 ----- 4.19, 4.77 A or (resid 88 and name HB2) (resid 89 and name HA) ! 0.1763 462:20 ----- 4.23, 4.40 A or (resid 99 and name HB) (resid 89 and name HA) ! 0.1705 462:20 ----- 4.25, 4.65 A or (resid 88 and name HB1) (resid 89 and name HA) ! 0.1240 462:20 ----- 4.48, 4.61 A assign (resid 113 and name HB*) (resid 113 and name HA) 2.30 0.50 0.50 ! 0.7689 463:20 Ambig 2.44, 2.80 A or (resid 55 and name HB2) (resid 52 and name HA) ! 0.1631 463:20 ----- 3.16, 3.40 A assign (resid 131 and name HG2) (resid 131 and name HA) 2.65 0.85 0.85 ! 0.6007 464:20 Ambig 2.32, 3.27 A or (resid 134 and name HG2) (resid 134 and name HA) ! 0.2936 464:20 ----- 2.61, 3.63 A or (resid 134 and name HG2) (resid 131 and name HA) ! 0.1040 464:20 ----- 3.10, 4.18 A assign (resid 134 and name HB1) (resid 131 and name HA) 2.30 0.50 0.50 ! 0.6422 465:20 Ambig 1.98, 2.77 A or (resid 131 and name HB*) (resid 131 and name HA) ! 0.2333 465:20 ----- 2.34, 2.64 A or (resid 134 and name HB1) (resid 134 and name HA) ! 0.0932 465:20 ----- 2.73, 3.00 A assign (resid 88 and name HB1) (resid 88 and name HA) 2.65 0.85 0.85 ! 0.4976 466:20 Ambig 2.46, 2.49 A or (resid 91 and name HB) (resid 88 and name HA) ! 0.2630 466:20 ----- 2.74, 3.05 A or (resid 88 and name HB2) (resid 88 and name HA) ! 0.1460 466:20 ----- 3.02, 3.03 A assign (resid 46 and name HB2) (resid 46 and name HA) 2.65 0.85 0.85 ! 0.8013 467:20 Ambig 2.38, 2.42 A or (resid 46 and name HB1) (resid 46 and name HA) ! 0.1954 467:20 ----- 3.01, 3.02 A assign (resid 50 and name HG2) (resid 50 and name HA) 2.65 0.85 0.85 ! 0.9996 468:20 Intra 2.38, 2.50 A assign (resid 50 and name HG1) (resid 50 and name HA) 2.65 0.85 0.85 ! 0.9932 469:20 Intra 2.98, 3.06 A assign (resid 109 and name HB*) (resid 109 and name HA) 2.30 0.50 0.50 ! 0.9898 470:20 Intra 2.47, 2.76 A assign (resid 112 and name HB2) (resid 109 and name HA) 2.30 0.50 0.50 ! 0.9926 471:20 Mid 2.20, 2.47 A assign (resid 25 and name HD*) (resid 25 and name HA) 2.65 0.85 0.85 ! 0.6702 472:20 Ambig 2.19, 4.43 A or (resid 25 and name HB1) (resid 25 and name HA) ! 0.3152 472:20 ----- 2.49, 2.80 A assign (resid 28 and name HB1) (resid 28 and name HA) 2.65 0.85 0.85 ! 0.9503 473:20 Intra 2.45, 2.49 A assign (resid 65 and name HD*) (resid 23 and name HA) 3.15 1.35 1.35 ! 0.7200 474:20 Ambig 2.78, 5.92 A or (resid 65 and name HG2) (resid 23 and name HA) ! 0.2771 474:20 ----- 3.26, 3.66 A assign (resid 23 and name HG2*) (resid 23 and name HA) 2.65 0.85 0.85 ! 0.9958 475:20 Intra 2.44, 3.07 A assign (resid 121 and name HG11) (resid 121 and name HA) 3.15 1.35 1.35 ! 0.9114 476:20 Intra 2.89, 2.96 A assign (resid 121 and name HG2*) (resid 121 and name HA) 2.65 0.85 0.85 ! 0.9948 477:20 Intra 2.57, 3.22 A assign (resid 36 and name HG) (resid 41 and name HA) 2.65 0.85 0.85 ! 0.9879 478:20 Long 2.95, 3.10 A assign (resid 35 and name HB*) (resid 41 and name HA) 3.65 1.85 1.85 ! 0.9903 479:20 Long 4.10, 5.09 A assign (resid 33 and name HG1) (resid 41 and name HA) 3.15 1.35 1.35 ! 0.5383 480:20 Ambig 3.82, 4.50 A or (resid 33 and name HD*) (resid 41 and name HA) ! 0.2412 480:20 ----- 4.36, 5.55 A or (resid 36 and name HB2) (resid 41 and name HA) ! 0.1930 480:20 ----- 4.53, 4.69 A assign (resid 36 and name HD1*) (resid 41 and name HA) 3.65 1.85 1.85 ! 0.9082 481:20 Long 4.34, 5.08 A assign (resid 45 and name HB2) (resid 117 and name HA) 3.65 1.85 1.85 ! 0.4972 482:20 Ambig 5.12, 5.26 A or (resid 119 and name HB) (resid 117 and name HA) ! 0.3993 482:20 ----- 5.31, 5.53 A or (resid 119 and name HG12) (resid 117 and name HA) ! 0.0628 482:20 ----- 7.23, 7.47 A assign (resid 116 and name HG2*) (resid 117 and name HA) 3.65 1.85 1.85 ! 0.9600 483:20 Seq 3.52, 4.74 A assign (resid 71 and name HG11) (resid 71 and name HA) 3.15 1.35 1.35 ! 0.9247 484:20 Intra 3.84, 3.89 A assign (resid 122 and name HG11) (resid 71 and name HA) 3.65 1.85 1.85 ! 0.9115 485:20 Long 4.14, 4.61 A assign (resid 122 and name HG12) (resid 71 and name HA) 3.65 1.85 1.85 ! 0.0000 486:20 Long 3.78, 4.15 A assign (resid 69 and name HG11) (resid 69 and name HA) 2.65 0.85 0.85 ! 0.9899 487:20 Intra 2.45, 2.49 A assign (resid 65 and name HD*) (resid 22 and name HA) 3.15 1.35 1.35 ! 0.5349 488:20 Ambig 3.45, 6.14 A or (resid 65 and name HG2) (resid 22 and name HA) ! 0.3728 488:20 ----- 3.66, 4.57 A assign (resid 23 and name HG2*) (resid 22 and name HA) 3.15 1.35 1.35 ! 0.9699 489:20 Seq 3.72, 4.79 A assign (resid 126 and name HG2*) (resid 126 and name HA) 2.65 0.85 0.85 ! 0.9995 490:20 Intra 2.38, 3.59 A assign (resid 24 and name HG11) (resid 61 and name HA) 2.65 0.85 0.85 ! 0.6280 492:20 Ambig 3.29, 3.41 A or (resid 25 and name HG*) (resid 61 and name HA) ! 0.2365 492:20 ----- 3.87, 5.78 A or (resid 60 and name HB2) (resid 61 and name HA) ! 0.1326 492:20 ----- 4.26, 4.31 A assign (resid 122 and name HG11) (resid 122 and name HA) 3.15 1.35 1.35 ! 0.9551 493:20 Intra 3.73, 3.80 A assign (resid 56 and name HG2*) (resid 61 and name HA) 3.15 1.35 1.35 ! 0.9473 494:20 Long 4.24, 4.82 A assign (resid 99 and name HG1*) (resid 99 and name HA) 2.65 0.85 0.85 ! 0.9950 495:20 Intra 2.39, 3.05 A assign (resid 25 and name HB2) (resid 62 and name HA) 2.65 0.85 0.85 ! 0.7825 496:20 Ambig 2.50, 2.89 A or (resid 85 and name HG1) (resid 86 and name HA) ! 0.1325 496:20 ----- 3.35, 3.45 A assign (resid 85 and name HG2) (resid 86 and name HA) 3.15 1.35 1.35 ! 0.7878 497:20 Ambig 4.26, 4.66 A or (resid 88 and name HG1) (resid 86 and name HA) ! 0.0922 497:20 ----- 6.10, 6.30 A or (resid 65 and name HG2) (resid 62 and name HA) ! 0.0792 497:20 ----- 6.25, 6.55 A assign (resid 23 and name HG2*) (resid 62 and name HA) 2.65 0.85 0.85 ! 0.9023 498:20 Long 2.46, 3.62 A assign (resid 2 and name HG11) (resid 2 and name HA) 3.65 1.85 1.85 ! 0.5504 500:20 Ambig 2.46, 3.12 A or (resid 5 and name HG11) (resid 2 and name HA) ! 0.4496 500:20 ----- 2.55, 8.69 A assign (resid 5 and name HG12) (resid 2 and name HA) 3.15 1.35 1.35 ! 0.6999 501:20 Ambig 2.17, 8.14 A or (resid 2 and name HG12) (resid 2 and name HA) ! 0.3001 501:20 ----- 2.50, 2.88 A assign (resid 139 and name HB2) (resid 136 and name HA) 3.15 1.35 1.35 ! 0.0000 502:20 Mid 2.48, 3.25 A assign (resid 51 and name HG*) (resid 51 and name HA) 2.65 0.85 0.85 ! 0.0000 503:20 Intra 3.62, 3.75 A assign (resid 58 and name HB1) (resid 59 and name HA) 3.15 1.35 1.35 ! 0.9485 504:20 Seq 4.08, 4.20 A assign (resid 85 and name HB2) (resid 85 and name HA) 2.30 0.50 0.50 ! 0.8552 505:20 Ambig 2.40, 2.45 A or (resid 85 and name HG1) (resid 85 and name HA) ! 0.0621 505:20 ----- 3.72, 3.77 A assign (resid 51 and name HG*) (resid 48 and name HA) 2.65 0.85 0.85 ! 0.9996 506:20 Mid 1.91, 2.57 A assign (resid 110 and name HG2) (resid 110 and name HA) 2.30 0.50 0.50 ! 0.7067 507:20 Ambig 2.50, 2.64 A or (resid 88 and name HG1) (resid 85 and name HA) ! 0.2038 507:20 ----- 3.07, 3.40 A assign (resid 52 and name HG) (resid 52 and name HA) 2.65 0.85 0.85 ! 0.7922 508:20 Ambig 3.18, 3.24 A or (resid 116 and name HG2*) (resid 113 and name HA) ! 0.1696 508:20 ----- 4.11, 5.75 A assign (resid 11 and name HG*) (resid 11 and name HA) 2.30 0.50 0.50 ! 0.5670 509:20 Ambig 2.38, 3.35 A or (resid 66 and name HB) (resid 66 and name HA) ! 0.4169 509:20 ----- 2.50, 2.52 A assign (resid 130 and name HG2*) (resid 131 and name HA) 2.65 0.85 0.85 ! 0.5020 510:20 Ambig 3.37, 5.39 A or (resid 133 and name HG2*) (resid 134 and name HA) ! 0.3732 510:20 ----- 3.54, 4.89 A or (resid 130 and name HG2*) (resid 134 and name HA) ! 0.0413 510:20 ----- 5.10, 7.79 A assign (resid 88 and name HG2) (resid 88 and name HA) 2.30 0.50 0.50 ! 0.6780 511:20 Ambig 2.55, 2.59 A or (resid 99 and name HG1*) (resid 88 and name HA) ! 0.1853 511:20 ----- 3.17, 4.54 A or (resid 91 and name HG11) (resid 88 and name HA) ! 0.1255 511:20 ----- 3.38, 3.50 A assign (resid 46 and name HD2) (resid 46 and name HA) 3.15 1.35 1.35 ! 0.8534 512:20 Ambig 2.31, 4.16 A or (resid 46 and name HD1) (resid 46 and name HA) ! 0.1365 512:20 ----- 3.13, 4.58 A assign (resid 46 and name HG1) (resid 46 and name HA) 2.65 0.85 0.85 ! 0.6747 513:20 Ambig 2.56, 2.65 A or (resid 46 and name HG2) (resid 46 and name HA) ! 0.2172 513:20 ----- 3.09, 3.36 A or (resid 27 and name HB*) (resid 46 and name HA) ! 0.0989 513:20 ----- 3.52, 4.79 A assign (resid 44 and name HG1*) (resid 44 and name HA) 2.65 0.85 0.85 ! 0.9981 514:20 Intra 2.48, 2.79 A assign (resid 112 and name HB1) (resid 109 and name HA) 3.15 1.35 1.35 ! 0.8179 515:20 Ambig 3.77, 4.05 A or (resid 111 and name HB2) (resid 109 and name HA) ! 0.1632 515:20 ----- 4.94, 5.15 A assign (resid 25 and name HB2) (resid 25 and name HA) 2.65 0.85 0.85 ! 0.9993 516:20 Intra 2.52, 2.77 A assign (resid 25 and name HG*) (resid 25 and name HA) 2.65 0.85 0.85 ! 0.9963 517:20 Intra 2.30, 2.70 A assign (resid 112 and name HG) (resid 112 and name HA) 2.65 0.85 0.85 ! 0.4319 518:20 Ambig 2.95, 3.02 A or (resid 46 and name HD2) (resid 28 and name HA) ! 0.3999 518:20 ----- 2.99, 3.47 A or (resid 46 and name HD1) (resid 28 and name HA) ! 0.1358 518:20 ----- 3.58, 4.72 A assign (resid 112 and name HB1) (resid 112 and name HA) 2.65 0.85 0.85 ! 0.5441 519:20 Ambig 2.50, 2.52 A or (resid 28 and name HG) (resid 28 and name HA) ! 0.2072 519:20 ----- 2.93, 3.05 A or (resid 28 and name HB2) (resid 28 and name HA) ! 0.1791 519:20 ----- 3.00, 3.01 A assign (resid 58 and name HB2) (resid 58 and name HA) 2.65 0.85 0.85 ! 0.9855 520:20 Intra 2.37, 2.51 A assign (resid 66 and name HG12) (resid 23 and name HA) 3.15 1.35 1.35 ! 0.7535 521:20 Ambig 3.18, 3.33 A or (resid 22 and name HG2*) (resid 23 and name HA) ! 0.1519 521:20 ----- 4.15, 5.17 A assign (resid 81 and name HG2*) (resid 102 and name HA) 2.30 0.50 0.50 ! 0.5092 522:20 Ambig 2.31, 3.82 A or (resid 102 and name HG1*) (resid 102 and name HA) ! 0.4246 522:20 ----- 2.38, 2.98 A assign (resid 122 and name HD1*) (resid 121 and name HA) 2.65 0.85 0.85 ! 0.4019 523:20 Ambig 4.22, 5.30 A or (resid 121 and name HD1*) (resid 121 and name HA) ! 0.3334 523:20 ----- 4.36, 4.62 A or (resid 123 and name HD2*) (resid 121 and name HA) ! 0.1186 523:20 ----- 5.18, 6.50 A or (resid 112 and name HD2*) (resid 121 and name HA) ! 0.0801 523:20 ----- 5.53, 6.66 A assign (resid 119 and name HG2*) (resid 121 and name HA) 3.65 1.85 1.85 ! 0.7702 524:20 Ambig 4.23, 4.79 A or (resid 108 and name HG1*) (resid 121 and name HA) ! 0.2298 524:20 ----- 5.18, 6.08 A assign (resid 35 and name HG*) (resid 41 and name HA) 3.65 1.85 1.85 ! 0.0000 525:20 Long 3.95, 4.66 A assign (resid 36 and name HD2*) (resid 41 and name HA) 3.65 1.85 1.85 ! 0.0000 526:20 Long 4.69, 5.26 A assign (resid 71 and name HD1*) (resid 71 and name HA) 2.65 0.85 0.85 ! 0.5650 527:20 Ambig 2.29, 3.14 A or (resid 71 and name HG2*) (resid 71 and name HA) ! 0.3793 527:20 ----- 2.45, 3.08 A assign (resid 22 and name HG1*) (resid 22 and name HA) 2.30 0.50 0.50 ! 0.9013 528:20 Intra 2.53, 3.14 A assign (resid 122 and name HG2*) (resid 122 and name HA) 2.30 0.50 0.50 ! 0.9476 530:20 Intra 2.47, 3.10 A assign (resid 102 and name HG2*) (resid 103 and name HA) 2.65 0.85 0.85 ! 0.5065 531:20 Ambig 3.82, 5.06 A or (resid 99 and name HD1*) (resid 103 and name HA) ! 0.1381 531:20 ----- 4.74, 5.94 A or (resid 81 and name HG2*) (resid 103 and name HA) ! 0.1104 531:20 ----- 4.92, 5.44 A or (resid 95 and name HD1*) (resid 103 and name HA) ! 0.0854 531:20 ----- 5.14, 6.07 A or (resid 99 and name HG2*) (resid 103 and name HA) ! 0.0674 531:20 ----- 5.34, 6.68 A assign (resid 103 and name HG2*) (resid 103 and name HA) 2.65 0.85 0.85 ! 0.9323 532:20 Intra 2.42, 3.03 A assign (resid 99 and name HD1*) (resid 99 and name HA) 2.30 0.50 0.50 ! 0.5786 533:20 Ambig 2.53, 3.68 A or (resid 99 and name HG2*) (resid 99 and name HA) ! 0.3924 533:20 ----- 2.70, 3.35 A assign (resid 63 and name HD2*) (resid 62 and name HA) 3.65 1.85 1.85 ! 0.6924 534:20 Ambig 5.23, 6.34 A or (resid 63 and name HD2*) (resid 86 and name HA) ! 0.2025 534:20 ----- 6.42, 7.33 A or (resid 58 and name HD1*) (resid 62 and name HA) ! 0.1050 534:20 ----- 7.16, 8.31 A assign (resid 36 and name HD2*) (resid 16 and name HA) 3.15 1.35 1.35 ! 0.9709 535:20 Long 2.94, 4.60 A assign (resid 66 and name HG2*) (resid 68 and name HA) 3.65 1.85 1.85 ! 0.7186 536:20 Ambig 4.55, 5.69 A or (resid 91 and name HD1*) (resid 68 and name HA) ! 0.2814 536:20 ----- 5.32, 6.59 A assign (resid 2 and name HD1*) (resid 2 and name HA) 2.65 0.85 0.85 ! 0.7181 537:20 Ambig 2.12, 4.24 A or (resid 2 and name HG2*) (resid 2 and name HA) ! 0.2566 537:20 ----- 2.52, 3.21 A assign (resid 139 and name HD1*) (resid 136 and name HA) 3.15 1.35 1.35 ! 0.9629 538:20 Mid 2.75, 4.84 A assign (resid 58 and name HD1*) (resid 59 and name HA) 3.65 1.85 1.85 ! 0.0000 539:20 Seq 3.29, 4.33 A assign (resid 58 and name HD2*) (resid 59 and name HA) 3.65 1.85 1.85 ! 0.0000 540:20 Seq 4.21, 6.29 A assign (resid 118 and name HD1*) (resid 48 and name HA) 3.15 1.35 1.35 ! 0.6232 541:20 Ambig 4.11, 5.22 A or (resid 118 and name HD2*) (resid 48 and name HA) ! 0.2136 541:20 ----- 4.92, 6.23 A or (resid 49 and name HG2*) (resid 48 and name HA) ! 0.1632 541:20 ----- 5.14, 6.07 A assign (resid 58 and name HG) (resid 59 and name HA) 3.15 1.35 1.35 ! 0.7393 542:20 Ambig 3.40, 5.55 A or (resid 99 and name HD1*) (resid 89 and name HA) ! 0.1002 542:20 ----- 4.75, 6.09 A or (resid 60 and name HG) (resid 59 and name HA) ! 0.0617 542:20 ----- 5.15, 5.23 A assign (resid 94 and name HD2*) (resid 52 and name HA) 2.65 0.85 0.85 ! 0.7735 543:20 Ambig 3.58, 4.27 A or (resid 118 and name HD1*) (resid 52 and name HA) ! 0.0872 543:20 ----- 5.14, 5.75 A or (resid 112 and name HD2*) (resid 113 and name HA) ! 0.0314 543:20 ----- 6.10, 6.77 A or (resid 56 and name HD1*) (resid 52 and name HA) ! 0.0273 543:20 ----- 6.24, 7.17 A assign (resid 24 and name HD1*) (resid 52 and name HA) 3.65 1.85 1.85 ! 0.0000 544:20 Long 5.62, 6.73 A assign (resid 52 and name HD1*) (resid 52 and name HA) 2.65 0.85 0.85 ! 0.9679 545:20 Intra 2.27, 3.11 A assign (resid 94 and name HD1*) (resid 94 and name HA) 3.15 1.35 1.35 ! 0.9501 546:20 Intra 4.42, 4.67 A assign (resid 108 and name HG1*) (resid 105 and name HA) 3.15 1.35 1.35 ! 0.6593 547:20 Ambig 4.32, 5.06 A or (resid 94 and name HD1*) (resid 111 and name HA) ! 0.1685 547:20 ----- 5.42, 6.48 A or (resid 119 and name HG2*) (resid 111 and name HA) ! 0.0558 547:20 ----- 6.51, 7.66 A or (resid 108 and name HG1*) (resid 111 and name HA) ! 0.0547 547:20 ----- 6.53, 7.29 A assign (resid 91 and name HD1*) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.0000 548:20 Mid 5.19, 5.46 A assign (resid 32 and name HG) (resid 46 and name HA) 3.65 1.85 1.85 ! 0.8969 549:20 Ambig 4.63, 5.12 A or (resid 44 and name HG1*) (resid 46 and name HA) ! 0.0730 549:20 ----- 7.03, 7.57 A assign (resid 49 and name HG2*) (resid 46 and name HA) 2.65 0.85 0.85 ! 0.9523 550:20 Mid 2.29, 3.23 A assign (resid 44 and name HD1*) (resid 44 and name HA) 2.30 0.50 0.50 ! 0.6681 551:20 Ambig 2.27, 4.56 A or (resid 44 and name HG2*) (resid 44 and name HA) ! 0.3172 551:20 ----- 2.58, 3.23 A assign (resid 32 and name HD2*) (resid 46 and name HA) 2.65 0.85 0.85 ! 0.7545 552:20 Ambig 2.45, 3.22 A or (resid 32 and name HD1*) (resid 46 and name HA) ! 0.1395 552:20 ----- 3.25, 4.66 A or (resid 44 and name HG2*) (resid 46 and name HA) ! 0.1041 552:20 ----- 3.41, 4.63 A assign (resid 112 and name HD1*) (resid 109 and name HA) 2.30 0.50 0.50 ! 0.9882 553:20 Mid 2.04, 3.29 A assign (resid 28 and name HD2*) (resid 50 and name HA) 2.65 0.85 0.85 ! 0.9966 554:20 Long 2.27, 3.27 A assign (resid 112 and name HD2*) (resid 112 and name HA) 2.65 0.85 0.85 ! 0.5858 555:20 Ambig 2.04, 2.93 A or (resid 119 and name HD1*) (resid 112 and name HA) ! 0.3843 555:20 ----- 2.19, 3.41 A assign (resid 28 and name HD2*) (resid 28 and name HA) 2.65 0.85 0.85 ! 0.9737 556:20 Intra 2.14, 3.03 A assign (resid 58 and name HD2*) (resid 58 and name HA) 3.65 1.85 1.85 ! 0.9990 557:20 Intra 2.14, 3.19 A assign (resid 58 and name HG) (resid 58 and name HA) 3.15 1.35 1.35 ! 0.9733 558:20 Intra 3.02, 3.76 A assign (resid 58 and name HD1*) (resid 58 and name HA) 3.65 1.85 1.85 ! 0.0000 559:20 Intra 2.39, 3.88 A assign (resid 66 and name HG2*) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.9118 560:20 Long 4.25, 5.45 A assign (resid 103 and name HD1*) (resid 102 and name HA) 3.65 1.85 1.85 ! 0.0000 561:20 Seq 5.82, 6.19 A assign (resid 58 and name HD2*) (resid 54 and name HA) 4.15 2.35 2.35 ! 0.6130 562:20 Ambig 6.26, 8.16 A or (resid 28 and name HD1*) (resid 54 and name HA) ! 0.3870 562:20 ----- 6.76, 7.97 A assign (resid 24 and name HG2*) (resid 61 and name HA) 3.15 1.35 1.35 ! 0.9760 563:20 Long 3.04, 3.94 A assign (resid 103 and name HD1*) (resid 103 and name HA) 3.15 1.35 1.35 ! 0.0000 564:20 Intra 4.86, 5.14 A assign (resid 24 and name HG2*) (resid 62 and name HA) 3.65 1.85 1.85 ! 0.5215 565:20 Ambig 6.45, 7.17 A or (resid 28 and name HD1*) (resid 62 and name HA) ! 0.3420 565:20 ----- 6.92, 8.30 A or (resid 66 and name HG2*) (resid 62 and name HA) ! 0.1365 565:20 ----- 8.07, 9.23 A assign (resid 63 and name HD1*) (resid 59 and name HA) 3.65 1.85 1.85 ! 0.0000 566:20 Mid 4.43, 5.32 A assign (resid 108 and name HG2*) (resid 105 and name HA) 3.15 1.35 1.35 ! 0.9951 567:20 Mid 2.97, 3.75 A assign (resid 28 and name HD1*) (resid 50 and name HA) 3.15 1.35 1.35 ! 0.0000 568:20 Long 4.16, 5.07 A assign (resid 108 and name HG2*) (resid 109 and name HA) 3.65 1.85 1.85 ! 0.0000 569:20 Seq 6.29, 6.51 A assign (resid 28 and name HD1*) (resid 25 and name HA) 3.15 1.35 1.35 ! 0.9979 570:20 Mid 2.21, 3.58 A assign (resid 28 and name HD1*) (resid 28 and name HA) 3.15 1.35 1.35 ! 0.9828 571:20 Intra 4.42, 4.67 A assign (resid 80 and name HN) (resid 80 and name HA) 3.15 1.35 1.35 ! 0.0000 572:20 Intra 2.88, 2.89 A assign (resid 80 and name HN) (resid 79 and name HA) 2.65 0.85 0.85 ! 0.9967 573:20 Seq 2.03, 2.08 A assign (resid 66 and name HN) (resid 21 and name HA) 3.65 1.85 1.85 ! 0.0000 574:20 Long 4.98, 5.10 A assign (resid 66 and name HN) (resid 65 and name HA) 2.65 0.85 0.85 ! 0.0000 575:20 Seq 1.99, 2.07 A assign (resid 66 and name HN) (resid 66 and name HA) 3.65 1.85 1.85 ! 0.0000 576:20 Intra 2.90, 2.91 A assign (resid 80 and name HN) (resid 72 and name HA) 3.65 1.85 1.85 ! 0.0000 577:20 Long 3.28, 3.62 A assign (resid 103 and name HN) (resid 80 and name HA) 3.65 1.85 1.85 ! 0.7607 578:20 Ambig 3.83, 4.02 A or (resid 79 and name HN) (resid 80 and name HA) ! 0.2213 578:20 ----- 4.70, 4.78 A assign (resid 34 and name HN) (resid 33 and name HA) 2.65 0.85 0.85 ! 0.0000 579:20 Seq 1.99, 2.09 A assign (resid 79 and name HN) (resid 104 and name HA) 3.65 1.85 1.85 ! 0.8462 580:20 Ambig 3.41, 3.61 A or (resid 103 and name HN) (resid 104 and name HA) ! 0.1538 580:20 ----- 4.53, 4.65 A assign (resid 79 and name HN) (resid 78 and name HA) 2.65 0.85 0.85 ! 0.9835 581:20 Seq 2.12, 2.23 A assign (resid 103 and name HN) (resid 101 and name HA) 4.15 2.35 2.35 ! 0.8713 582:20 Ambig 5.91, 6.30 A or (resid 79 and name HN) (resid 101 and name HA) ! 0.1287 582:20 ----- 8.13, 8.43 A assign (resid 50 and name HN) (resid 47 and name HA) 3.15 1.35 1.35 ! 0.9887 583:20 Mid 3.20, 3.50 A assign (resid 44 and name HN) (resid 43 and name HA) 2.65 0.85 0.85 ! 0.9998 584:20 Seq 2.00, 2.07 A assign (resid 68 and name HN) (resid 118 and name HA) 3.15 1.35 1.35 ! 0.9196 585:20 Long 3.83, 3.99 A assign (resid 23 and name HN) (resid 27 and name HA) 4.15 2.35 2.35 ! 0.6464 586:20 Ambig 5.87, 6.09 A or (resid 44 and name HN) (resid 27 and name HA) ! 0.2720 586:20 ----- 6.79, 6.97 A assign (resid 44 and name HN) (resid 32 and name HA) 3.65 1.85 1.85 ! 0.9946 587:20 Long 3.34, 3.48 A assign (resid 68 and name HN) (resid 66 and name HA) 3.15 1.35 1.35 ! 0.9016 588:20 Mid 3.50, 3.60 A assign (resid 23 and name HN) (resid 26 and name HA) 4.15 2.35 2.35 ! 0.0000 589:20 Mid 4.48, 4.59 A assign (resid 45 and name HN) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.9968 590:20 Intra 2.86, 2.88 A assign (resid 34 and name HN) (resid 35 and name HA) 4.15 2.35 2.35 ! 0.0000 591:20 Seq 4.83, 4.99 A assign (resid 36 and name HN) (resid 35 and name HA) 4.15 2.35 2.35 ! 0.9986 592:20 Seq 2.06, 2.14 A assign (resid 101 and name HN) (resid 101 and name HA) 3.65 1.85 1.85 ! 0.7698 593:20 Ambig 2.24, 2.79 A or (resid 65 and name HN) (resid 65 and name HA) ! 0.1703 593:20 ----- 2.88, 2.90 A assign (resid 115 and name HN) (resid 115 and name HA) 3.15 1.35 1.35 ! 0.0000 594:20 Intra 2.93, 2.94 A assign (resid 90 and name HN) (resid 87 and name HA) 3.65 1.85 1.85 ! 0.8366 595:20 Ambig 3.22, 3.42 A or (resid 89 and name HN) (resid 87 and name HA) ! 0.1604 595:20 ----- 4.24, 4.45 A assign (resid 111 and name HN) (resid 107 and name HA) 3.65 1.85 1.85 ! 0.5002 596:20 Ambig 4.18, 4.32 A or (resid 51 and name HN) (resid 47 and name HA) ! 0.4913 596:20 ----- 4.19, 4.32 A assign (resid 95 and name HN) (resid 95 and name HA) 2.65 0.85 0.85 ! 0.0000 597:20 Intra 2.89, 2.91 A assign (resid 28 and name HN) (resid 27 and name HA) 3.15 1.35 1.35 ! 0.0000 598:20 Seq 3.51, 3.54 A assign (resid 31 and name HN) (resid 27 and name HA) 2.65 0.85 0.85 ! 0.6260 599:20 Ambig 2.56, 2.87 A or (resid 27 and name HN) (resid 27 and name HA) ! 0.3740 599:20 ----- 2.78, 2.81 A assign (resid 28 and name HN) (resid 26 and name HA) 3.65 1.85 1.85 ! 0.0000 600:20 Mid 4.33, 4.46 A assign (resid 27 and name HN) (resid 26 and name HA) 3.15 1.35 1.35 ! 0.7268 601:20 Ambig 3.45, 3.51 A or (resid 31 and name HN) (resid 26 and name HA) ! 0.2732 601:20 ----- 4.06, 4.16 A assign (resid 94 and name HN) (resid 94 and name HA) 2.65 0.85 0.85 ! 0.6109 602:20 Ambig 2.79, 2.81 A or (resid 141 and name HN) (resid 140 and name HA) ! 0.2032 602:20 ----- 3.35, 3.48 A or (resid 115 and name HN) (resid 114 and name HA) ! 0.1444 602:20 ----- 3.55, 3.57 A assign (resid 95 and name HN) (resid 90 and name HA) 4.15 2.35 2.35 ! 0.7249 603:20 Ambig 6.45, 6.58 A or (resid 61 and name HN) (resid 90 and name HA) ! 0.1568 603:20 ----- 8.33, 8.55 A or (resid 65 and name HN) (resid 90 and name HA) ! 0.1184 603:20 ----- 8.73, 8.93 A assign (resid 90 and name HN) (resid 90 and name HA) 2.65 0.85 0.85 ! 0.8661 604:20 Ambig 2.78, 2.79 A or (resid 94 and name HN) (resid 90 and name HA) ! 0.1109 604:20 ----- 3.92, 4.09 A assign (resid 93 and name HN) (resid 90 and name HA) 3.15 1.35 1.35 ! 0.5269 605:20 Ambig 3.45, 3.56 A or (resid 91 and name HN) (resid 90 and name HA) ! 0.4705 605:20 ----- 3.51, 3.53 A assign (resid 80 and name HD*) (resid 80 and name HA) 3.15 1.35 1.35 ! 0.9541 606:20 Intra 2.88, 3.59 A assign (resid 56 and name HN) (resid 56 and name HA) 3.15 1.35 1.35 ! 0.9942 608:20 Intra 2.87, 2.88 A assign (resid 49 and name HN) (resid 115 and name HA) 4.15 2.35 2.35 ! 0.0000 611:20 Long 6.28, 6.44 A assign (resid 24 and name HN) (resid 65 and name HA) 3.65 1.85 1.85 ! 0.7696 612:20 Ambig 4.10, 4.31 A or (resid 64 and name HN) (resid 65 and name HA) ! 0.1967 612:20 ----- 5.14, 5.22 A assign (resid 115 and name HD*) (resid 115 and name HA) 3.15 1.35 1.35 ! 0.9909 615:20 Intra 2.59, 3.64 A assign (resid 68 and name HE*) (resid 87 and name HA) 2.65 0.85 0.85 ! 0.9729 617:20 Long 2.46, 4.82 A assign (resid 108 and name HN) (resid 107 and name HA) 3.15 1.35 1.35 ! 0.0000 618:20 Seq 3.45, 3.48 A assign (resid 56 and name HN) (resid 55 and name HA) 3.65 1.85 1.85 ! 0.9023 619:20 Seq 3.46, 3.49 A assign (resid 32 and name HN) (resid 31 and name HA) 3.65 1.85 1.85 ! 0.0000 620:20 Seq 2.03, 2.17 A assign (resid 141 and name HD2) (resid 141 and name HA) 3.15 1.35 1.35 ! 0.7119 621:20 Ambig 2.47, 3.21 A or (resid 142 and name HD2) (resid 141 and name HA) ! 0.2016 621:20 ----- 3.05, 5.05 A assign (resid 119 and name HN) (resid 118 and name HA) 3.65 1.85 1.85 ! 0.0000 622:20 Seq 3.21, 3.26 A assign (resid 29 and name HN) (resid 26 and name HA) 3.65 1.85 1.85 ! 0.9475 623:20 Mid 3.20, 3.40 A assign (resid 64 and name HN) (resid 60 and name HA) 3.65 1.85 1.85 ! 0.8036 624:20 Ambig 3.38, 3.57 A or (resid 86 and name HE3) (resid 60 and name HA) ! 0.1279 624:20 ----- 4.60, 4.80 A assign (resid 64 and name HN) (resid 63 and name HA) 3.65 1.85 1.85 ! 0.5566 625:20 Ambig 3.49, 3.53 A or (resid 86 and name HD1) (resid 63 and name HA) ! 0.4108 625:20 ----- 3.67, 4.06 A assign (resid 60 and name HN) (resid 60 and name HA) 3.15 1.35 1.35 ! 0.9648 626:20 Intra 2.86, 2.87 A assign (resid 68 and name HE*) (resid 90 and name HA) 3.65 1.85 1.85 ! 0.5009 627:20 Ambig 5.26, 6.74 A or (resid 59 and name HD*) (resid 60 and name HA) ! 0.4991 627:20 ----- 5.26, 6.09 A assign (resid 41 and name HD*) (resid 33 and name HA) 4.15 2.35 2.35 ! 0.0000 628:20 Long 4.35, 6.42 A assign (resid 79 and name HD*) (resid 79 and name HA) 2.65 0.85 0.85 ! 0.9914 629:20 Intra 3.33, 3.55 A assign (resid 21 and name HD*) (resid 21 and name HA) 3.15 1.35 1.35 ! 0.0000 630:20 Intra 2.36, 3.55 A assign (resid 21 and name HE*) (resid 21 and name HA) 3.65 1.85 1.85 ! 0.8664 631:20 Ambig 4.74, 5.43 A or (resid 120 and name HE*) (resid 21 and name HA) ! 0.0735 631:20 ----- 7.15, 8.92 A assign (resid 79 and name HD*) (resid 78 and name HA) 3.15 1.35 1.35 ! 0.9981 632:20 Seq 2.80, 4.82 A assign (resid 42 and name HD2) (resid 42 and name HA) 3.65 1.85 1.85 ! 0.8981 633:20 Ambig 4.01, 4.39 A or (resid 120 and name HE*) (resid 42 and name HA) ! 0.0917 633:20 ----- 5.87, 6.38 A assign (resid 120 and name HE*) (resid 17 and name HA) 3.65 1.85 1.85 ! 0.9678 634:20 Long 3.10, 5.08 A assign (resid 21 and name HD*) (resid 20 and name HA) 3.15 1.35 1.35 ! 0.0000 635:20 Seq 3.55, 4.70 A assign (resid 21 and name HE*) (resid 20 and name HA) 3.65 1.85 1.85 ! 0.0000 636:20 Seq 4.15, 5.35 A assign (resid 79 and name HD*) (resid 72 and name HA) 3.15 1.35 1.35 ! 0.9974 638:20 Long 2.80, 3.87 A assign (resid 41 and name HD*) (resid 35 and name HA) 3.15 1.35 1.35 ! 0.0000 639:20 Long 2.35, 3.97 A assign (resid 23 and name HA) (resid 65 and name HA) 3.15 1.35 1.35 ! 0.0000 640:20 Long 2.08, 2.23 A assign (resid 78 and name HA) (resid 104 and name HA) 3.15 1.35 1.35 ! 0.9976 641:20 Long 2.25, 2.49 A assign (resid 104 and name HA) (resid 78 and name HA) 3.15 1.35 1.35 ! 0.9956 642:20 Long 2.25, 2.49 A assign (resid 79 and name HA) (resid 72 and name HA) 3.15 1.35 1.35 ! 0.9779 644:20 Long 2.16, 2.48 A assign (resid 41 and name HA) (resid 35 and name HA) 3.15 1.35 1.35 ! 0.0000 645:20 Long 2.24, 2.47 A assign (resid 57 and name HD1) (resid 56 and name HA) 3.15 1.35 1.35 ! 0.9676 646:20 Seq 2.58, 2.68 A assign (resid 48 and name HA) (resid 115 and name HA) 3.65 1.85 1.85 ! 0.5725 647:20 Ambig 3.89, 4.38 A or (resid 114 and name HA) (resid 115 and name HA) ! 0.2092 647:20 ----- 4.60, 4.64 A or (resid 116 and name HB) (resid 115 and name HA) ! 0.1739 647:20 ----- 4.74, 4.82 A assign (resid 18 and name HA) (resid 36 and name HA) 2.65 0.85 0.85 ! 0.9970 648:20 Long 2.04, 2.17 A assign (resid 72 and name HA) (resid 79 and name HA) 3.15 1.35 1.35 ! 0.9947 651:20 Long 2.16, 2.48 A assign (resid 57 and name HD2) (resid 56 and name HA) 3.15 1.35 1.35 ! 0.9790 652:20 Seq 1.96, 2.01 A assign (resid 125 and name HD*) (resid 124 and name HA) 2.30 0.50 0.50 ! 0.6326 653:20 Ambig 1.93, 2.33 A or (resid 124 and name HB1) (resid 124 and name HA) ! 0.1945 653:20 ----- 2.35, 2.69 A or (resid 124 and name HB2) (resid 124 and name HA) ! 0.1703 653:20 ----- 2.41, 2.79 A assign (resid 17 and name HB*) (resid 17 and name HA) 2.30 0.50 0.50 ! 0.9747 655:20 Intra 2.36, 2.71 A assign (resid 141 and name HB1) (resid 141 and name HA) 2.30 0.50 0.50 ! 0.7371 657:20 Ambig 2.43, 2.53 A or (resid 141 and name HB2) (resid 141 and name HA) ! 0.2540 657:20 ----- 2.90, 3.02 A assign (resid 28 and name HA) (resid 27 and name HA) 3.65 1.85 1.85 ! 0.8319 658:20 Ambig 4.72, 4.77 A or (resid 25 and name HA) (resid 27 and name HA) ! 0.1283 658:20 ----- 6.45, 6.68 A assign (resid 30 and name HA2) (resid 27 and name HA) 3.65 1.85 1.85 ! 0.9725 659:20 Mid 4.31, 4.57 A assign (resid 80 and name HB1) (resid 80 and name HA) 3.15 1.35 1.35 ! 0.0000 660:20 Intra 2.39, 2.45 A assign (resid 101 and name HB1) (resid 80 and name HA) 3.15 1.35 1.35 ! 0.5139 661:20 Ambig 2.86, 3.72 A or (resid 80 and name HB2) (resid 80 and name HA) ! 0.3880 661:20 ----- 3.00, 3.02 A assign (resid 33 and name HE*) (resid 33 and name HA) 3.65 1.85 1.85 ! 0.9134 662:20 Intra 3.83, 4.80 A assign (resid 105 and name HB*) (resid 104 and name HA) 4.15 2.35 2.35 ! 0.8178 663:20 Ambig 4.42, 4.81 A or (resid 107 and name HB1) (resid 104 and name HA) ! 0.1177 663:20 ----- 6.11, 6.34 A assign (resid 70 and name HB1) (resid 79 and name HA) 3.65 1.85 1.85 ! 0.9181 665:20 Long 3.93, 4.19 A assign (resid 21 and name HB1) (resid 21 and name HA) 2.65 0.85 0.85 ! 0.9982 666:20 Intra 2.34, 2.39 A assign (resid 79 and name HB1) (resid 79 and name HA) 2.65 0.85 0.85 ! 0.7647 667:20 Ambig 2.46, 2.49 A or (resid 21 and name HB2) (resid 21 and name HA) ! 0.2336 667:20 ----- 3.00, 3.02 A assign (resid 48 and name HG1) (resid 115 and name HA) 3.15 1.35 1.35 ! 0.9800 669:20 Long 3.66, 4.42 A assign (resid 115 and name HB2) (resid 115 and name HA) 3.15 1.35 1.35 ! 0.7296 671:20 Ambig 3.02, 3.03 A or (resid 51 and name HE*) (resid 115 and name HA) ! 0.2335 671:20 ----- 3.65, 5.18 A assign (resid 42 and name HB*) (resid 42 and name HA) 2.65 0.85 0.85 ! 0.9976 672:20 Intra 2.37, 2.74 A assign (resid 68 and name HB1) (resid 68 and name HA) 2.30 0.50 0.50 ! 0.7426 673:20 Ambig 2.44, 2.46 A or (resid 87 and name HB2) (resid 87 and name HA) ! 0.2146 673:20 ----- 3.00, 3.02 A assign (resid 107 and name HB1) (resid 107 and name HA) 2.65 0.85 0.85 ! 0.9709 674:20 Intra 2.44, 2.52 A assign (resid 47 and name HB2) (resid 47 and name HA) 2.65 0.85 0.85 ! 0.9067 675:20 Intra 3.00, 3.02 A assign (resid 47 and name HB1) (resid 47 and name HA) 2.30 0.50 0.50 ! 0.9882 676:20 Intra 2.44, 2.50 A assign (resid 55 and name HD*) (resid 55 and name HA) 3.15 1.35 1.35 ! 0.0000 677:20 Intra 4.30, 4.60 A assign (resid 127 and name HD*) (resid 127 and name HA) 3.15 1.35 1.35 ! 0.0000 678:20 Intra 2.10, 4.14 A assign (resid 84 and name HG*) (resid 84 and name HA) 2.65 0.85 0.85 ! 0.9996 679:20 Intra 2.39, 3.02 A assign (resid 26 and name HB1) (resid 27 and name HA) 3.15 1.35 1.35 ! 0.6955 680:20 Ambig 3.77, 4.04 A or (resid 29 and name HB1) (resid 27 and name HA) ! 0.1973 680:20 ----- 4.65, 4.88 A or (resid 31 and name HE*) (resid 27 and name HA) ! 0.0627 680:20 ----- 5.62, 7.18 A assign (resid 3 and name HB1) (resid 3 and name HA) 2.30 0.50 0.50 ! 0.9947 681:20 Intra 2.32, 2.57 A assign (resid 29 and name HB1) (resid 26 and name HA) 2.30 0.50 0.50 ! 0.7755 682:20 Ambig 2.07, 2.40 A or (resid 26 and name HB1) (resid 26 and name HA) ! 0.2192 682:20 ----- 2.55, 2.60 A assign (resid 29 and name HB2) (resid 26 and name HA) 2.65 0.85 0.85 ! 0.9987 683:20 Mid 2.78, 3.17 A assign (resid 26 and name HB2) (resid 26 and name HA) 2.65 0.85 0.85 ! 0.0000 684:20 Intra 2.97, 2.98 A assign (resid 35 and name HD1) (resid 39 and name HA) 2.65 0.85 0.85 ! 0.9970 685:20 Mid 2.41, 2.90 A assign (resid 35 and name HD2) (resid 39 and name HA) 2.65 0.85 0.85 ! 0.6382 686:20 Ambig 2.26, 3.58 A or (resid 39 and name HB1) (resid 39 and name HA) ! 0.3618 686:20 ----- 2.48, 2.59 A assign (resid 39 and name HB2) (resid 39 and name HA) 2.65 0.85 0.85 ! 0.0000 687:20 Intra 2.96, 2.99 A assign (resid 46 and name HE1) (resid 28 and name HA) 3.15 1.35 1.35 ! 0.9648 688:20 Long 2.07, 3.57 A assign (resid 35 and name HD1) (resid 35 and name HA) 3.65 1.85 1.85 ! 0.9770 689:20 Intra 4.06, 4.72 A assign (resid 35 and name HD2) (resid 35 and name HA) 3.65 1.85 1.85 ! 0.8652 690:20 Ambig 4.56, 4.71 A or (resid 39 and name HB1) (resid 35 and name HA) ! 0.1348 690:20 ----- 6.21, 6.51 A assign (resid 41 and name HB1) (resid 35 and name HA) 3.65 1.85 1.85 ! 0.9727 691:20 Long 3.96, 4.16 A assign (resid 41 and name HB2) (resid 35 and name HA) 3.65 1.85 1.85 ! 0.7675 692:20 Ambig 4.67, 4.98 A or (resid 33 and name HE*) (resid 35 and name HA) ! 0.2325 692:20 ----- 5.70, 7.84 A assign (resid 102 and name HB) (resid 80 and name HA) 3.65 1.85 1.85 ! 0.4603 693:20 Ambig 4.03, 4.25 A or (resid 81 and name HB) (resid 80 and name HA) ! 0.2868 693:20 ----- 4.36, 4.50 A or (resid 71 and name HB) (resid 80 and name HA) ! 0.2063 693:20 ----- 4.60, 4.73 A assign (resid 43 and name HG2) (resid 33 and name HA) 3.65 1.85 1.85 ! 0.9837 694:20 Long 2.70, 3.53 A assign (resid 104 and name HB2) (resid 104 and name HA) 2.65 0.85 0.85 ! 0.7761 695:20 Ambig 2.97, 3.00 A or (resid 78 and name HB1) (resid 104 and name HA) ! 0.2212 695:20 ----- 3.66, 4.27 A assign (resid 56 and name HB) (resid 56 and name HA) 2.65 0.85 0.85 ! 0.9146 696:20 Intra 2.42, 2.45 A assign (resid 125 and name HG*) (resid 124 and name HA) 3.15 1.35 1.35 ! 0.7627 697:20 Ambig 4.03, 4.39 A or (resid 125 and name HB2) (resid 124 and name HA) ! 0.2373 697:20 ----- 4.89, 5.41 A assign (resid 78 and name HG1) (resid 78 and name HA) 2.65 0.85 0.85 ! 0.7593 698:20 Ambig 3.02, 3.12 A or (resid 48 and name HB2) (resid 115 and name HA) ! 0.2407 698:20 ----- 3.66, 3.85 A assign (resid 78 and name HG2) (resid 78 and name HA) 2.65 0.85 0.85 ! 0.9423 699:20 Intra 2.47, 2.58 A assign (resid 78 and name HB1) (resid 78 and name HA) 2.65 0.85 0.85 ! 0.7914 700:20 Ambig 2.37, 2.49 A or (resid 78 and name HB2) (resid 78 and name HA) ! 0.1938 700:20 ----- 3.00, 3.03 A assign (resid 50 and name HB*) (resid 47 and name HA) 2.30 0.50 0.50 ! 0.5161 703:20 Ambig 2.67, 3.70 A or (resid 110 and name HB*) (resid 107 and name HA) ! 0.3513 703:20 ----- 2.85, 3.79 A or (resid 111 and name HG) (resid 107 and name HA) ! 0.0343 703:20 ----- 4.20, 4.38 A assign (resid 84 and name HB*) (resid 84 and name HA) 2.30 0.50 0.50 ! 0.9992 704:20 Intra 2.39, 2.75 A assign (resid 55 and name HB1) (resid 55 and name HA) 2.65 0.85 0.85 ! 0.9961 705:20 Intra 2.42, 2.46 A assign (resid 127 and name HB1) (resid 127 and name HA) 2.30 0.50 0.50 ! 0.5248 706:20 Ambig 2.35, 2.69 A or (resid 127 and name HB2) (resid 127 and name HA) ! 0.4690 706:20 ----- 2.39, 2.83 A assign (resid 31 and name HB1) (resid 31 and name HA) 2.30 0.50 0.50 ! 0.4589 707:20 Ambig 2.44, 2.54 A or (resid 55 and name HG2) (resid 55 and name HA) ! 0.4056 707:20 ----- 2.49, 2.58 A or (resid 55 and name HB2) (resid 55 and name HA) ! 0.1343 707:20 ----- 2.99, 3.01 A assign (resid 72 and name HB1) (resid 123 and name HA) 2.30 0.50 0.50 ! 0.6349 708:20 Ambig 2.17, 2.57 A or (resid 67 and name HB1) (resid 118 and name HA) ! 0.2955 708:20 ----- 2.46, 2.68 A assign (resid 123 and name HB1) (resid 123 and name HA) 2.30 0.50 0.50 ! 0.4131 709:20 Ambig 2.38, 2.45 A or (resid 97 and name HB*) (resid 97 and name HA) ! 0.3504 709:20 ----- 2.44, 2.77 A or (resid 118 and name HB2) (resid 118 and name HA) ! 0.1019 709:20 ----- 3.00, 3.01 A or (resid 123 and name HG) (resid 123 and name HA) ! 0.0997 709:20 ----- 3.01, 3.17 A assign (resid 32 and name HB1) (resid 32 and name HA) 2.65 0.85 0.85 ! 0.9177 710:20 Intra 2.44, 2.46 A assign (resid 36 and name HB1) (resid 36 and name HA) 3.15 1.35 1.35 ! 0.0000 711:20 Intra 2.42, 2.44 A assign (resid 20 and name HB*) (resid 20 and name HA) 2.30 0.50 0.50 ! 0.9267 712:20 Intra 2.38, 2.47 A assign (resid 98 and name HG2) (resid 98 and name HA) 2.65 0.85 0.85 ! 0.2646 713:20 Ambig 2.44, 3.38 A or (resid 140 and name HG2) (resid 140 and name HA) ! 0.2626 713:20 ----- 2.44, 3.00 A or (resid 140 and name HG1) (resid 140 and name HA) ! 0.2498 713:20 ----- 2.46, 3.01 A or (resid 98 and name HG1) (resid 98 and name HA) ! 0.2208 713:20 ----- 2.51, 3.41 A assign (resid 98 and name HB1) (resid 98 and name HA) 2.30 0.50 0.50 ! 0.2764 714:20 Ambig 2.34, 2.45 A or (resid 98 and name HB2) (resid 98 and name HA) ! 0.2284 714:20 ----- 2.42, 2.81 A or (resid 140 and name HB*) (resid 140 and name HA) ! 0.2276 714:20 ----- 2.42, 2.75 A or (resid 94 and name HB1) (resid 94 and name HA) ! 0.2214 714:20 ----- 2.43, 2.46 A assign (resid 13 and name HB) (resid 10 and name HA) 2.30 0.50 0.50 ! 0.2655 715:20 Ambig 2.31, 3.18 A or (resid 4 and name HB*) (resid 4 and name HA) ! 0.2649 715:20 ----- 2.31, 2.69 A or (resid 135 and name HB*) (resid 135 and name HA) ! 0.1837 715:20 ----- 2.46, 2.77 A or (resid 10 and name HG) (resid 10 and name HA) ! 0.1700 715:20 ----- 2.49, 3.10 A or (resid 139 and name HG) (resid 135 and name HA) ! 0.0549 715:20 ----- 3.01, 3.78 A assign (resid 75 and name HB1) (resid 75 and name HA) 2.30 0.50 0.50 ! 0.9866 716:20 Intra 2.32, 2.44 A assign (resid 75 and name HB2) (resid 75 and name HA) 2.65 0.85 0.85 ! 0.0000 717:20 Intra 2.97, 3.01 A assign (resid 93 and name HB) (resid 90 and name HA) 2.65 0.85 0.85 ! 0.8412 718:20 Ambig 2.95, 3.11 A or (resid 56 and name HB) (resid 90 and name HA) ! 0.1179 718:20 ----- 4.09, 4.34 A assign (resid 1 and name HB*) (resid 1 and name HA) 3.15 1.35 1.35 ! 0.0000 719:20 Intra 2.41, 2.71 A assign (resid 79 and name HB1) (resid 72 and name HA) 3.65 1.85 1.85 ! 0.6517 720:20 Ambig 3.44, 3.86 A or (resid 50 and name HG2) (resid 28 and name HA) ! 0.2025 720:20 ----- 4.17, 4.56 A or (resid 79 and name HB2) (resid 72 and name HA) ! 0.1381 720:20 ----- 4.45, 4.78 A assign (resid 33 and name HG1) (resid 33 and name HA) 3.15 1.35 1.35 ! 0.9877 721:20 Intra 2.44, 2.52 A assign (resid 33 and name HB*) (resid 33 and name HA) 2.65 0.85 0.85 ! 0.9488 722:20 Intra 2.44, 2.76 A assign (resid 72 and name HD*) (resid 79 and name HA) 3.15 1.35 1.35 ! 0.4316 723:20 Ambig 4.25, 6.23 A or (resid 65 and name HD*) (resid 21 and name HA) ! 0.2109 723:20 ----- 4.79, 6.23 A or (resid 65 and name HG2) (resid 21 and name HA) ! 0.1167 723:20 ----- 5.29, 5.83 A or (resid 67 and name HG1) (resid 21 and name HA) ! 0.0979 723:20 ----- 5.45, 5.56 A or (resid 18 and name HG1) (resid 21 and name HA) ! 0.0816 723:20 ----- 5.62, 5.90 A assign (resid 93 and name HG2*) (resid 56 and name HA) 2.65 0.85 0.85 ! 0.7968 724:20 Ambig 2.85, 3.87 A or (resid 56 and name HG2*) (resid 56 and name HA) ! 0.1618 724:20 ----- 3.72, 3.93 A assign (resid 114 and name HB1) (resid 115 and name HA) 3.15 1.35 1.35 ! 0.6449 725:20 Ambig 4.47, 4.60 A or (resid 72 and name HG1) (resid 78 and name HA) ! 0.2440 725:20 ----- 5.26, 6.40 A or (resid 116 and name HG2*) (resid 115 and name HA) ! 0.0882 725:20 ----- 6.23, 6.69 A assign (resid 65 and name HD*) (resid 65 and name HA) 2.30 0.50 0.50 ! 0.6673 726:20 Ambig 2.20, 4.42 A or (resid 65 and name HG2) (resid 65 and name HA) ! 0.3326 726:20 ----- 2.47, 2.57 A assign (resid 23 and name HG2*) (resid 65 and name HA) 3.15 1.35 1.35 ! 0.9840 727:20 Long 2.85, 4.01 A assign (resid 36 and name HD1*) (resid 42 and name HA) 3.65 1.85 1.85 ! 0.9034 728:20 Long 4.05, 5.50 A assign (resid 90 and name HB*) (resid 87 and name HA) 2.65 0.85 0.85 ! 0.9907 729:20 Mid 2.66, 3.40 A assign (resid 64 and name HG2*) (resid 87 and name HA) 3.15 1.35 1.35 ! 0.9632 730:20 Long 2.36, 3.70 A assign (resid 127 and name HG*) (resid 127 and name HA) 2.65 0.85 0.85 ! 0.9983 731:20 Intra 2.39, 2.99 A assign (resid 31 and name HB2) (resid 31 and name HA) 2.65 0.85 0.85 ! 0.0000 732:20 Intra 2.94, 3.00 A assign (resid 31 and name HG*) (resid 31 and name HA) 2.65 0.85 0.85 ! 0.9565 733:20 Intra 2.46, 3.25 A assign (resid 126 and name HG2*) (resid 127 and name HA) 4.15 2.35 2.35 ! 0.9331 734:20 Seq 3.48, 5.20 A assign (resid 19 and name HB*) (resid 37 and name HA) 2.30 0.50 0.50 ! 0.9992 735:20 Long 1.96, 2.98 A assign (resid 95 and name HB2) (resid 95 and name HA) 2.65 0.85 0.85 ! 0.7767 736:20 Ambig 2.98, 3.00 A or (resid 97 and name HG*) (resid 95 and name HA) ! 0.1148 736:20 ----- 4.10, 5.54 A or (resid 94 and name HB2) (resid 95 and name HA) ! 0.0986 736:20 ----- 4.21, 4.34 A assign (resid 97 and name HG*) (resid 97 and name HA) 2.65 0.85 0.85 ! 0.7181 737:20 Ambig 2.42, 3.12 A or (resid 67 and name HG1) (resid 118 and name HA) ! 0.1036 737:20 ----- 3.34, 3.60 A or (resid 66 and name HB) (resid 118 and name HA) ! 0.0677 737:20 ----- 3.59, 3.72 A or (resid 72 and name HD*) (resid 123 and name HA) ! 0.0516 737:20 ----- 3.75, 4.63 A assign (resid 27 and name HB*) (resid 27 and name HA) 2.30 0.50 0.50 ! 0.9579 738:20 Intra 2.39, 2.62 A assign (resid 32 and name HB2) (resid 32 and name HA) 2.65 0.85 0.85 ! 0.7474 740:20 Ambig 2.99, 3.01 A or (resid 27 and name HB*) (resid 32 and name HA) ! 0.2227 740:20 ----- 3.66, 4.55 A assign (resid 36 and name HB2) (resid 36 and name HA) 2.65 0.85 0.85 ! 0.9238 741:20 Intra 3.01, 3.02 A assign (resid 19 and name HB*) (resid 36 and name HA) 2.65 0.85 0.85 ! 0.8172 742:20 Ambig 3.40, 4.14 A or (resid 36 and name HD1*) (resid 36 and name HA) ! 0.1808 742:20 ----- 4.38, 4.71 A assign (resid 134 and name HB2) (resid 131 and name HA) 2.30 0.50 0.50 ! 0.4045 743:20 Ambig 2.07, 3.15 A or (resid 11 and name HD*) (resid 11 and name HA) ! 0.2870 743:20 ----- 2.19, 4.07 A or (resid 135 and name HB*) (resid 135 and name HA) ! 0.1430 743:20 ----- 2.46, 2.77 A or (resid 139 and name HG) (resid 135 and name HA) ! 0.0428 743:20 ----- 3.01, 3.78 A or (resid 135 and name HG) (resid 135 and name HA) ! 0.0390 743:20 ----- 3.05, 3.39 A assign (resid 114 and name HB1) (resid 114 and name HA) 2.65 0.85 0.85 ! 0.9482 744:20 Intra 3.00, 3.01 A assign (resid 114 and name HB2) (resid 114 and name HA) 2.30 0.50 0.50 ! 0.8627 745:20 Ambig 2.47, 2.50 A or (resid 93 and name HG2*) (resid 94 and name HA) ! 0.1352 745:20 ----- 3.37, 4.62 A assign (resid 139 and name HB2) (resid 139 and name HA) 2.65 0.85 0.85 ! 0.8296 746:20 Ambig 2.99, 3.01 A or (resid 139 and name HB2) (resid 140 and name HA) ! 0.1522 746:20 ----- 3.96, 4.26 A assign (resid 4 and name HG*) (resid 4 and name HA) 2.65 0.85 0.85 ! 0.9613 747:20 Intra 2.38, 3.14 A assign (resid 90 and name HB*) (resid 90 and name HA) 2.30 0.50 0.50 ! 0.9608 748:20 Intra 2.43, 2.64 A assign (resid 35 and name HB*) (resid 39 and name HA) 3.15 1.35 1.35 ! 0.0000 749:20 Mid 4.58, 4.89 A assign (resid 93 and name HG2*) (resid 90 and name HA) 3.15 1.35 1.35 ! 0.6879 750:20 Ambig 4.80, 5.47 A or (resid 56 and name HG2*) (resid 90 and name HA) ! 0.3121 750:20 ----- 5.47, 6.21 A assign (resid 60 and name HB2) (resid 60 and name HA) 3.15 1.35 1.35 ! 0.9336 751:20 Intra 2.99, 3.00 A assign (resid 63 and name HB1) (resid 63 and name HA) 2.30 0.50 0.50 ! 0.7367 752:20 Ambig 2.44, 2.47 A or (resid 63 and name HG) (resid 63 and name HA) ! 0.2103 752:20 ----- 3.01, 3.08 A assign (resid 64 and name HG2*) (resid 60 and name HA) 2.65 0.85 0.85 ! 0.5157 753:20 Ambig 3.24, 4.41 A or (resid 63 and name HB1) (resid 60 and name HA) ! 0.2612 753:20 ----- 3.63, 3.71 A or (resid 64 and name HG2*) (resid 90 and name HA) ! 0.1570 753:20 ----- 3.95, 4.80 A assign (resid 36 and name HG) (resid 35 and name HA) 3.15 1.35 1.35 ! 0.0000 754:20 Seq 3.37, 3.65 A assign (resid 35 and name HB*) (resid 35 and name HA) 2.65 0.85 0.85 ! 0.9996 755:20 Intra 2.38, 2.76 A assign (resid 102 and name HG1*) (resid 80 and name HA) 2.65 0.85 0.85 ! 0.9493 756:20 Long 2.11, 3.19 A assign (resid 104 and name HD1*) (resid 104 and name HA) 2.65 0.85 0.85 ! 0.5241 757:20 Ambig 2.04, 4.41 A or (resid 104 and name HD2*) (resid 104 and name HA) ! 0.4742 757:20 ----- 2.08, 2.98 A assign (resid 34 and name HG2*) (resid 21 and name HA) 2.30 0.50 0.50 ! 0.8709 759:20 Ambig 2.35, 3.41 A or (resid 22 and name HG2*) (resid 21 and name HA) ! 0.0450 759:20 ----- 3.84, 4.95 A assign (resid 36 and name HD2*) (resid 21 and name HA) 4.15 2.35 2.35 ! 0.5116 760:20 Ambig 7.35, 8.30 A or (resid 66 and name HD1*) (resid 21 and name HA) ! 0.4884 760:20 ----- 7.41, 7.81 A assign (resid 122 and name HG2*) (resid 124 and name HA) 3.15 1.35 1.35 ! 0.9682 761:20 Mid 3.60, 4.91 A assign (resid 104 and name HD2*) (resid 78 and name HA) 2.65 0.85 0.85 ! 0.6963 762:20 Ambig 3.03, 4.39 A or (resid 118 and name HD1*) (resid 115 and name HA) ! 0.1523 762:20 ----- 3.90, 4.75 A or (resid 76 and name HG2*) (resid 78 and name HA) ! 0.0940 762:20 ----- 4.23, 5.45 A assign (resid 34 and name HD1*) (resid 42 and name HA) 3.15 1.35 1.35 ! 0.7830 764:20 Ambig 4.63, 5.41 A or (resid 44 and name HD1*) (resid 42 and name HA) ! 0.1682 764:20 ----- 5.98, 8.20 A assign (resid 52 and name HD1*) (resid 115 and name HA) 3.65 1.85 1.85 ! 0.3548 765:20 Ambig 6.43, 7.63 A or (resid 52 and name HD2*) (resid 115 and name HA) ! 0.3429 765:20 ----- 6.47, 7.68 A or (resid 94 and name HD1*) (resid 115 and name HA) ! 0.1256 765:20 ----- 7.65, 8.71 A or (resid 119 and name HG2*) (resid 115 and name HA) ! 0.0965 765:20 ----- 7.99, 8.62 A assign (resid 36 and name HD2*) (resid 42 and name HA) 3.65 1.85 1.85 ! 0.0000 766:20 Long 4.62, 5.85 A assign (resid 64 and name HG1*) (resid 87 and name HA) 2.30 0.50 0.50 ! 0.9907 767:20 Long 2.15, 3.21 A assign (resid 66 and name HG2*) (resid 68 and name HA) 3.65 1.85 1.85 ! 0.4800 768:20 Ambig 4.55, 5.69 A or (resid 91 and name HD1*) (resid 87 and name HA) ! 0.2138 768:20 ----- 5.21, 5.92 A or (resid 91 and name HD1*) (resid 68 and name HA) ! 0.1880 768:20 ----- 5.32, 6.59 A or (resid 66 and name HG2*) (resid 87 and name HA) ! 0.1181 768:20 ----- 5.75, 6.45 A assign (resid 95 and name HD2*) (resid 107 and name HA) 2.65 0.85 0.85 ! 0.9032 769:20 Long 3.24, 4.15 A assign (resid 103 and name HG2*) (resid 107 and name HA) 3.65 1.85 1.85 ! 0.4120 770:20 Ambig 5.66, 6.77 A or (resid 28 and name HD2*) (resid 47 and name HA) ! 0.3158 770:20 ----- 5.91, 6.83 A or (resid 103 and name HG11) (resid 107 and name HA) ! 0.2721 770:20 ----- 6.06, 6.29 A assign (resid 36 and name HD2*) (resid 17 and name HA) 3.65 1.85 1.85 ! 0.9979 771:20 Long 3.21, 4.36 A assign (resid 95 and name HD2*) (resid 95 and name HA) 2.30 0.50 0.50 ! 0.9894 772:20 Intra 2.10, 2.94 A assign (resid 123 and name HD2*) (resid 123 and name HA) 2.30 0.50 0.50 ! 0.5138 773:20 Ambig 2.12, 2.97 A or (resid 118 and name HD2*) (resid 118 and name HA) ! 0.4443 773:20 ----- 2.17, 3.00 A assign (resid 32 and name HD2*) (resid 27 and name HA) 2.65 0.85 0.85 ! 0.9414 774:20 Long 2.54, 3.57 A assign (resid 32 and name HG) (resid 32 and name HA) 2.65 0.85 0.85 ! 0.7310 775:20 Ambig 2.95, 3.05 A or (resid 44 and name HG1*) (resid 32 and name HA) ! 0.2690 775:20 ----- 3.48, 4.38 A assign (resid 32 and name HD2*) (resid 32 and name HA) 2.65 0.85 0.85 ! 0.8094 776:20 Ambig 2.02, 2.96 A or (resid 44 and name HD1*) (resid 32 and name HA) ! 0.1529 776:20 ----- 2.67, 4.03 A assign (resid 36 and name HD2*) (resid 36 and name HA) 2.65 0.85 0.85 ! 0.0000 777:20 Intra 2.14, 2.99 A assign (resid 135 and name HD1*) (resid 135 and name HA) 2.30 0.50 0.50 ! 0.4474 778:20 Ambig 2.02, 3.88 A or (resid 135 and name HD2*) (resid 135 and name HA) ! 0.3594 778:20 ----- 2.10, 3.21 A or (resid 8 and name HG2*) (resid 11 and name HA) ! 0.0985 778:20 ----- 2.61, 8.18 A assign (resid 66 and name HD1*) (resid 66 and name HA) 3.15 1.35 1.35 ! 0.0000 779:20 Intra 4.87, 5.14 A assign (resid 139 and name HD2*) (resid 139 and name HA) 2.30 0.50 0.50 ! 0.9793 780:20 Intra 2.07, 2.94 A assign (resid 56 and name HD1*) (resid 90 and name HA) 2.30 0.50 0.50 ! 0.9258 781:20 Long 2.74, 3.53 A assign (resid 60 and name HD2*) (resid 60 and name HA) 2.65 0.85 0.85 ! 0.8644 782:20 Ambig 2.14, 2.95 A or (resid 93 and name HD1*) (resid 90 and name HA) ! 0.1314 782:20 ----- 2.93, 4.33 A assign (resid 60 and name HD1*) (resid 90 and name HA) 3.15 1.35 1.35 ! 0.8388 783:20 Ambig 3.05, 3.77 A or (resid 60 and name HD1*) (resid 60 and name HA) ! 0.1094 783:20 ----- 4.28, 4.65 A assign (resid 63 and name HD2*) (resid 63 and name HA) 2.65 0.85 0.85 ! 0.0000 784:20 Intra 2.07, 2.95 A assign (resid 63 and name HD2*) (resid 60 and name HA) 3.65 1.85 1.85 ! 0.8566 785:20 Ambig 5.01, 5.20 A or (resid 58 and name HD1*) (resid 60 and name HA) ! 0.1434 785:20 ----- 6.75, 7.92 A assign (resid 35 and name HG*) (resid 35 and name HA) 3.15 1.35 1.35 ! 0.9991 786:20 Intra 2.54, 2.81 A assign (resid 108 and name HG2*) (resid 79 and name HA) 4.15 2.35 2.35 ! 0.0000 787:20 Long 4.68, 5.57 A assign (resid 66 and name HG2*) (resid 65 and name HA) 3.65 1.85 1.85 ! 0.0000 788:20 Seq 3.92, 5.08 A assign (resid 103 and name HD1*) (resid 107 and name HA) 3.15 1.35 1.35 ! 0.0000 789:20 Mid 4.57, 5.78 A assign (resid 66 and name HG2*) (resid 118 and name HA) 3.65 1.85 1.85 ! 0.9726 790:20 Long 4.93, 5.64 A assign (resid 66 and name HG2*) (resid 66 and name HA) 2.65 0.85 0.85 ! 0.9988 791:20 Intra 2.45, 3.06 A assign (resid 63 and name HD1*) (resid 63 and name HA) 3.15 1.35 1.35 ! 0.0000 792:20 Intra 4.35, 4.65 A assign (resid 63 and name HD1*) (resid 60 and name HA) 3.15 1.35 1.35 ! 0.9998 793:20 Mid 2.06, 3.24 A assign (resid 71 and name HN) (resid 70 and name HA) 2.65 0.85 0.85 ! 0.0000 794:20 Seq 2.05, 2.09 A assign (resid 70 and name HN) (resid 70 and name HA) 3.65 1.85 1.85 ! 0.0000 795:20 Intra 2.92, 2.93 A assign (resid 68 and name HN) (resid 67 and name HD*) 4.15 2.35 2.35 ! 0.5455 796:20 Ambig 5.04, 5.45 A or (resid 34 and name HN) (resid 67 and name HD*) ! 0.3089 796:20 ----- 5.54, 6.34 A or (resid 120 and name HN) (resid 67 and name HD*) ! 0.1456 796:20 ----- 6.29, 7.15 A assign (resid 70 and name HD*) (resid 70 and name HA) 2.65 0.85 0.85 ! 0.9904 797:20 Intra 2.55, 3.48 A assign (resid 38 and name HD21) (resid 38 and name HA) 4.15 2.35 2.35 ! 0.7751 798:20 Ambig 3.71, 4.36 A or (resid 40 and name HD*) (resid 38 and name HA) ! 0.2249 798:20 ----- 4.57, 6.84 A assign (resid 56 and name HN) (resid 57 and name HD1) 3.65 1.85 1.85 ! 0.9426 799:20 Seq 5.03, 5.12 A assign (resid 56 and name HN) (resid 57 and name HD2) 3.65 1.85 1.85 ! 0.9393 800:20 Seq 4.71, 4.74 A assign (resid 120 and name HD*) (resid 18 and name HD1) 3.65 1.85 1.85 ! 0.0000 801:20 Long 2.56, 3.69 A assign (resid 21 and name HD*) (resid 67 and name HD*) 3.15 1.35 1.35 ! 0.0000 802:20 Long 2.10, 4.73 A assign (resid 21 and name HE*) (resid 67 and name HD*) 3.15 1.35 1.35 ! 0.8068 803:20 Ambig 3.07, 5.88 A or (resid 120 and name HE*) (resid 67 and name HD*) ! 0.1286 803:20 ----- 4.17, 6.20 A assign (resid 120 and name HE*) (resid 18 and name HD1) 3.65 1.85 1.85 ! 0.7941 804:20 Ambig 3.34, 4.33 A or (resid 21 and name HE*) (resid 18 and name HD1) ! 0.1873 804:20 ----- 4.26, 6.52 A assign (resid 71 and name HA) (resid 70 and name HA) 3.65 1.85 1.85 ! 0.4363 805:20 Ambig 4.32, 4.36 A or (resid 69 and name HA) (resid 70 and name HA) ! 0.4193 805:20 ----- 4.35, 4.38 A or (resid 79 and name HA) (resid 70 and name HA) ! 0.1391 805:20 ----- 5.22, 5.45 A assign (resid 56 and name HA) (resid 57 and name HD1) 3.15 1.35 1.35 ! 0.0000 806:20 Seq 2.58, 2.68 A assign (resid 124 and name HA) (resid 125 and name HD*) 2.65 0.85 0.85 ! 0.9994 807:20 Seq 1.93, 2.33 A assign (resid 56 and name HA) (resid 57 and name HD2) 3.15 1.35 1.35 ! 0.0000 808:20 Seq 1.96, 2.01 A assign (resid 21 and name HA) (resid 67 and name HD*) 3.15 1.35 1.35 ! 0.9757 809:20 Long 3.12, 3.42 A assign (resid 81 and name HA) (resid 70 and name HA) 3.15 1.35 1.35 ! 0.9971 810:20 Long 2.83, 3.04 A assign (resid 57 and name HA) (resid 57 and name HD1) 3.15 1.35 1.35 ! 0.9971 811:20 Intra 3.15, 3.21 A assign (resid 125 and name HA) (resid 125 and name HD*) 3.15 1.35 1.35 ! 0.9306 812:20 Intra 3.32, 3.81 A assign (resid 57 and name HA) (resid 57 and name HD2) 3.65 1.85 1.85 ! 0.9757 813:20 Intra 4.00, 4.02 A assign (resid 67 and name HA) (resid 67 and name HD*) 3.65 1.85 1.85 ! 0.9632 815:20 Intra 3.85, 3.90 A assign (resid 66 and name HA) (resid 67 and name HD*) 3.65 1.85 1.85 ! 0.0000 816:20 Seq 4.32, 4.49 A assign (resid 36 and name HA) (resid 18 and name HD1) 4.15 2.35 2.35 ! 0.6168 817:20 Ambig 4.94, 5.18 A or (resid 16 and name HA) (resid 18 and name HD1) ! 0.2176 817:20 ----- 5.87, 6.21 A or (resid 122 and name HA) (resid 18 and name HD1) ! 0.0660 817:20 ----- 7.16, 7.69 A assign (resid 17 and name HA) (resid 18 and name HD1) 2.65 0.85 0.85 ! 0.9998 818:20 Seq 1.98, 2.08 A assign (resid 18 and name HA) (resid 18 and name HD1) 3.65 1.85 1.85 ! 0.0000 819:20 Intra 3.40, 3.76 A assign (resid 17 and name HA) (resid 18 and name HD2) 3.15 1.35 1.35 ! 0.9987 820:20 Seq 2.44, 2.98 A assign (resid 15 and name HB*) (resid 38 and name HA) 3.15 1.35 1.35 ! 0.9988 821:20 Long 2.61, 4.67 A assign (resid 67 and name HD*) (resid 18 and name HD1) 3.65 1.85 1.85 ! 0.0000 823:20 Long 4.68, 5.68 A assign (resid 17 and name HB*) (resid 18 and name HD1) 3.15 1.35 1.35 ! 0.9806 824:20 Seq 2.96, 3.75 A assign (resid 70 and name HB1) (resid 70 and name HA) 3.15 1.35 1.35 ! 0.7755 827:20 Ambig 2.46, 2.48 A or (resid 70 and name HB2) (resid 70 and name HA) ! 0.2238 827:20 ----- 3.03, 3.03 A assign (resid 38 and name HB1) (resid 38 and name HA) 2.65 0.85 0.85 ! 0.9977 828:20 Intra 2.41, 2.49 A assign (resid 38 and name HB2) (resid 38 and name HA) 2.30 0.50 0.50 ! 0.9677 829:20 Intra 2.39, 2.44 A assign (resid 57 and name HB1) (resid 57 and name HD1) 3.65 1.85 1.85 ! 0.0000 830:20 Intra 2.94, 3.07 A assign (resid 57 and name HB1) (resid 57 and name HD2) 3.65 1.85 1.85 ! 0.0000 831:20 Intra 3.89, 3.96 A assign (resid 21 and name HB1) (resid 67 and name HD*) 3.65 1.85 1.85 ! 0.8581 832:20 Ambig 3.94, 4.22 A or (resid 120 and name HB2) (resid 67 and name HD*) ! 0.1419 832:20 ----- 5.31, 6.36 A assign (resid 79 and name HB1) (resid 70 and name HA) 3.65 1.85 1.85 ! 0.8843 834:20 Ambig 3.61, 3.80 A or (resid 79 and name HB2) (resid 70 and name HA) ! 0.1157 834:20 ----- 5.07, 5.29 A assign (resid 71 and name HB) (resid 70 and name HA) 3.65 1.85 1.85 ! 0.3600 835:20 Ambig 4.61, 4.72 A or (resid 69 and name HB) (resid 70 and name HA) ! 0.3562 835:20 ----- 4.62, 4.81 A or (resid 122 and name HB) (resid 70 and name HA) ! 0.1393 835:20 ----- 5.40, 5.70 A or (resid 81 and name HB) (resid 70 and name HA) ! 0.0946 835:20 ----- 5.76, 5.98 A assign (resid 18 and name HB1) (resid 19 and name HA) 3.65 1.85 1.85 ! 0.0000 836:20 Seq 5.30, 5.46 A assign (resid 57 and name HG1) (resid 57 and name HD1) 3.15 1.35 1.35 ! 0.9993 837:20 Intra 2.28, 2.30 A assign (resid 57 and name HG2) (resid 57 and name HD1) 3.15 1.35 1.35 ! 0.9315 838:20 Intra 2.97, 2.98 A assign (resid 57 and name HB2) (resid 57 and name HD1) 3.15 1.35 1.35 ! 0.5905 839:20 Ambig 3.82, 3.87 A or (resid 56 and name HG12) (resid 57 and name HD1) ! 0.3616 839:20 ----- 4.15, 4.24 A assign (resid 125 and name HB1) (resid 125 and name HD*) 3.15 1.35 1.35 ! 0.0000 840:20 Intra 2.84, 3.60 A assign (resid 125 and name HG*) (resid 125 and name HD*) 2.65 0.85 0.85 ! 0.8006 841:20 Ambig 2.28, 2.57 A or (resid 125 and name HB2) (resid 125 and name HD*) ! 0.1960 841:20 ----- 2.88, 3.76 A assign (resid 57 and name HG1) (resid 57 and name HD2) 3.15 1.35 1.35 ! 0.9952 842:20 Intra 2.62, 2.66 A assign (resid 57 and name HG2) (resid 57 and name HD2) 2.65 0.85 0.85 ! 0.9418 843:20 Intra 2.27, 2.30 A assign (resid 56 and name HG12) (resid 57 and name HD2) 3.15 1.35 1.35 ! 0.8817 844:20 Ambig 2.68, 2.81 A or (resid 57 and name HB2) (resid 57 and name HD2) ! 0.0898 844:20 ----- 3.93, 3.97 A assign (resid 34 and name HB) (resid 67 and name HD*) 3.15 1.35 1.35 ! 0.5480 845:20 Ambig 3.61, 4.26 A or (resid 67 and name HB1) (resid 67 and name HD*) ! 0.3995 845:20 ----- 3.80, 3.95 A assign (resid 18 and name HB1) (resid 67 and name HD*) 3.15 1.35 1.35 ! 0.5719 846:20 Ambig 2.67, 3.31 A or (resid 67 and name HB2) (resid 67 and name HD*) ! 0.4262 846:20 ----- 2.81, 3.36 A assign (resid 18 and name HB1) (resid 18 and name HD1) 3.65 1.85 1.85 ! 0.9011 847:20 Intra 3.08, 3.99 A assign (resid 71 and name HG11) (resid 70 and name HA) 3.65 1.85 1.85 ! 0.6288 848:20 Ambig 5.21, 5.40 A or (resid 69 and name HG11) (resid 70 and name HA) ! 0.2120 848:20 ----- 6.25, 6.35 A or (resid 119 and name HG12) (resid 70 and name HA) ! 0.0689 848:20 ----- 7.54, 7.70 A assign (resid 19 and name HB*) (resid 19 and name HA) 2.30 0.50 0.50 ! 0.9995 849:20 Intra 2.40, 2.64 A assign (resid 56 and name HG11) (resid 57 and name HD1) 3.65 1.85 1.85 ! 0.9618 850:20 Seq 3.82, 3.89 A assign (resid 93 and name HG2*) (resid 57 and name HD1) 2.65 0.85 0.85 ! 0.9924 851:20 Long 2.37, 3.58 A assign (resid 123 and name HB2) (resid 125 and name HD*) 3.65 1.85 1.85 ! 0.9187 852:20 Mid 4.70, 6.27 A assign (resid 126 and name HG2*) (resid 125 and name HD*) 4.15 2.35 2.35 ! 0.0000 853:20 Seq 3.37, 6.29 A assign (resid 93 and name HG2*) (resid 57 and name HD2) 3.15 1.35 1.35 ! 0.9804 854:20 Long 2.36, 3.63 A assign (resid 67 and name HG1) (resid 67 and name HD*) 2.65 0.85 0.85 ! 0.9151 855:20 Intra 2.30, 2.67 A assign (resid 34 and name HG12) (resid 67 and name HD*) 2.65 0.85 0.85 ! 0.6306 856:20 Ambig 2.05, 2.72 A or (resid 67 and name HG2) (resid 67 and name HD*) ! 0.3015 856:20 ----- 2.32, 2.49 A assign (resid 18 and name HG1) (resid 18 and name HD1) 3.15 1.35 1.35 ! 0.9669 857:20 Intra 2.27, 2.30 A assign (resid 18 and name HG1) (resid 18 and name HD2) 3.65 1.85 1.85 ! 0.5372 858:20 Ambig 2.69, 2.97 A or (resid 69 and name HG12) (resid 18 and name HD2) ! 0.4625 858:20 ----- 2.76, 2.97 A assign (resid 69 and name HG2*) (resid 70 and name HA) 2.65 0.85 0.85 ! 0.6869 859:20 Ambig 3.47, 4.46 A or (resid 71 and name HD1*) (resid 70 and name HA) ! 0.1940 859:20 ----- 4.28, 5.29 A or (resid 81 and name HG1*) (resid 70 and name HA) ! 0.0889 859:20 ----- 4.87, 5.81 A assign (resid 119 and name HG2*) (resid 70 and name HA) 4.15 2.35 2.35 ! 0.5947 860:20 Ambig 5.88, 6.67 A or (resid 108 and name HG1*) (resid 70 and name HA) ! 0.4053 860:20 ----- 6.27, 7.09 A assign (resid 93 and name HD1*) (resid 57 and name HD1) 3.15 1.35 1.35 ! 0.9964 861:20 Long 2.71, 3.94 A assign (resid 60 and name HG) (resid 57 and name HD1) 3.15 1.35 1.35 ! 0.5651 862:20 Ambig 5.10, 5.28 A or (resid 56 and name HD1*) (resid 57 and name HD1) ! 0.2184 862:20 ----- 5.97, 6.29 A or (resid 94 and name HD2*) (resid 57 and name HD1) ! 0.2165 862:20 ----- 5.98, 6.93 A assign (resid 93 and name HD1*) (resid 57 and name HD2) 3.15 1.35 1.35 ! 0.9951 864:20 Long 2.43, 3.28 A assign (resid 60 and name HG) (resid 57 and name HD2) 3.15 1.35 1.35 ! 0.4580 865:20 Ambig 4.16, 4.32 A or (resid 56 and name HD1*) (resid 57 and name HD2) ! 0.4153 865:20 ----- 4.23, 4.62 A or (resid 94 and name HD2*) (resid 57 and name HD2) ! 0.1080 865:20 ----- 5.29, 6.10 A assign (resid 34 and name HG2*) (resid 67 and name HD*) 2.30 0.50 0.50 ! 0.3707 866:20 Ambig 2.20, 4.16 A or (resid 44 and name HD1*) (resid 67 and name HD*) ! 0.3525 866:20 ----- 2.22, 4.36 A or (resid 18 and name HG2) (resid 67 and name HD*) ! 0.2603 866:20 ----- 2.33, 3.38 A assign (resid 69 and name HD1*) (resid 18 and name HD1) 2.65 0.85 0.85 ! 0.5149 867:20 Ambig 3.48, 4.73 A or (resid 122 and name HD1*) (resid 18 and name HD1) ! 0.4834 867:20 ----- 3.52, 5.09 A assign (resid 36 and name HD2*) (resid 18 and name HD1) 4.15 2.35 2.35 ! 0.9952 868:20 Long 3.35, 4.19 A assign (resid 69 and name HD1*) (resid 18 and name HD2) 3.15 1.35 1.35 ! 0.4965 869:20 Ambig 2.27, 3.60 A or (resid 18 and name HG2) (resid 18 and name HD2) ! 0.4833 869:20 ----- 2.28, 2.31 A assign (resid 95 and name HN) (resid 96 and name HA1) 4.15 2.35 2.35 ! 0.8269 870:20 Ambig 4.89, 4.92 A or (resid 98 and name HN) (resid 96 and name HA1) ! 0.1415 870:20 ----- 6.56, 6.74 A assign (resid 96 and name HN) (resid 96 and name HA1) 3.65 1.85 1.85 ! 0.9916 871:20 Intra 2.87, 2.91 A assign (resid 97 and name HN) (resid 96 and name HA1) 3.65 1.85 1.85 ! 0.9216 872:20 Seq 3.38, 3.46 A assign (resid 77 and name HN) (resid 77 and name HA2) 3.65 1.85 1.85 ! 0.9277 873:20 Intra 2.85, 2.89 A assign (resid 96 and name HN) (resid 96 and name HA2) 3.65 1.85 1.85 ! 0.9938 874:20 Intra 2.30, 2.33 A assign (resid 79 and name HE*) (resid 77 and name HA1) 4.15 2.35 2.35 ! 0.0000 875:20 Mid 3.70, 6.15 A assign (resid 79 and name HE*) (resid 77 and name HA2) 3.65 1.85 1.85 ! 0.0000 876:20 Mid 3.14, 5.15 A assign (resid 28 and name HA) (resid 30 and name HA2) 3.65 1.85 1.85 ! 0.9574 881:20 Mid 4.81, 4.99 A assign (resid 29 and name HB1) (resid 30 and name HA1) 3.65 1.85 1.85 ! 0.5028 882:20 Ambig 4.74, 4.88 A or (resid 46 and name HE2) (resid 30 and name HA1) ! 0.2470 882:20 ----- 5.34, 6.57 A or (resid 31 and name HE*) (resid 30 and name HA1) ! 0.2070 882:20 ----- 5.50, 7.36 A assign (resid 105 and name HB*) (resid 77 and name HA1) 3.15 1.35 1.35 ! 0.0000 883:20 Long 2.39, 3.06 A assign (resid 72 and name HE*) (resid 77 and name HA1) 3.65 1.85 1.85 ! 0.6432 884:20 Ambig 3.36, 4.63 A or (resid 97 and name HD*) (resid 96 and name HA1) ! 0.3568 884:20 ----- 3.70, 6.17 A assign (resid 105 and name HB*) (resid 77 and name HA2) 3.15 1.35 1.35 ! 0.0000 885:20 Long 2.50, 3.59 A assign (resid 72 and name HE*) (resid 77 and name HA2) 3.65 1.85 1.85 ! 0.9804 886:20 Long 2.08, 3.11 A assign (resid 95 and name HB1) (resid 96 and name HA1) 3.15 1.35 1.35 ! 0.3951 887:20 Ambig 4.68, 4.79 A or (resid 104 and name HB1) (resid 77 and name HA1) ! 0.2864 887:20 ----- 4.94, 5.47 A or (resid 76 and name HB) (resid 77 and name HA1) ! 0.2331 887:20 ----- 5.11, 5.39 A assign (resid 31 and name HG*) (resid 30 and name HA1) 3.15 1.35 1.35 ! 0.6660 888:20 Ambig 4.34, 5.49 A or (resid 32 and name HB2) (resid 30 and name HA1) ! 0.1488 888:20 ----- 5.57, 5.86 A or (resid 46 and name HG1) (resid 30 and name HA1) ! 0.0892 888:20 ----- 6.06, 7.02 A assign (resid 97 and name HG*) (resid 96 and name HA1) 3.65 1.85 1.85 ! 0.6862 889:20 Ambig 3.86, 5.10 A or (resid 95 and name HB2) (resid 96 and name HA1) ! 0.1979 889:20 ----- 4.75, 4.84 A or (resid 72 and name HD*) (resid 77 and name HA1) ! 0.0637 889:20 ----- 5.74, 6.72 A assign (resid 10 and name HG) (resid 9 and name HA1) 3.65 1.85 1.85 ! 0.0000 890:20 Seq 3.58, 4.48 A assign (resid 72 and name HD*) (resid 77 and name HA2) 3.65 1.85 1.85 ! 0.5240 891:20 Ambig 4.11, 5.11 A or (resid 97 and name HG*) (resid 96 and name HA2) ! 0.2431 891:20 ----- 4.67, 5.63 A or (resid 95 and name HB2) (resid 96 and name HA2) ! 0.2329 891:20 ----- 4.70, 4.81 A assign (resid 10 and name HG) (resid 9 and name HA2) 3.65 1.85 1.85 ! 0.7724 892:20 Ambig 3.57, 4.82 A or (resid 10 and name HB2) (resid 9 and name HA2) ! 0.2276 892:20 ----- 4.38, 5.20 A assign (resid 46 and name HD2) (resid 30 and name HA2) 4.15 2.35 2.35 ! 0.8811 893:20 Ambig 2.89, 3.60 A or (resid 46 and name HD1) (resid 30 and name HA2) ! 0.0939 893:20 ----- 4.20, 4.84 A assign (resid 32 and name HB2) (resid 30 and name HA2) 3.15 1.35 1.35 ! 0.3334 894:20 Ambig 4.47, 4.79 A or (resid 46 and name HG1) (resid 30 and name HA2) ! 0.2980 894:20 ----- 4.56, 5.45 A or (resid 31 and name HG*) (resid 30 and name HA2) ! 0.1785 894:20 ----- 4.96, 6.10 A or (resid 27 and name HB*) (resid 30 and name HA2) ! 0.0902 894:20 ----- 5.56, 6.52 A assign (resid 32 and name HG) (resid 30 and name HA1) 3.15 1.35 1.35 ! 0.0000 895:20 Mid 3.89, 4.24 A assign (resid 32 and name HD1*) (resid 30 and name HA1) 3.65 1.85 1.85 ! 0.6600 896:20 Ambig 4.62, 5.61 A or (resid 32 and name HD2*) (resid 30 and name HA1) ! 0.3400 896:20 ----- 5.16, 6.38 A assign (resid 10 and name HD1*) (resid 9 and name HA1) 3.15 1.35 1.35 ! 0.7655 897:20 Ambig 2.56, 6.21 A or (resid 76 and name HG2*) (resid 77 and name HA1) ! 0.0945 897:20 ----- 3.62, 4.79 A or (resid 8 and name HG2*) (resid 9 and name HA1) ! 0.0854 897:20 ----- 3.68, 5.85 A assign (resid 10 and name HD1*) (resid 9 and name HA2) 3.65 1.85 1.85 ! 0.4404 898:20 Ambig 3.42, 6.56 A or (resid 8 and name HG2*) (resid 9 and name HA2) ! 0.3462 898:20 ----- 3.56, 5.51 A or (resid 76 and name HG2*) (resid 77 and name HA2) ! 0.1508 898:20 ----- 4.09, 5.19 A assign (resid 32 and name HG) (resid 30 and name HA2) 3.15 1.35 1.35 ! 0.9995 899:20 Mid 2.54, 2.81 A assign (resid 32 and name HD1*) (resid 30 and name HA2) 3.65 1.85 1.85 ! 0.6908 900:20 Ambig 2.99, 4.10 A or (resid 32 and name HD2*) (resid 30 and name HA2) ! 0.3037 900:20 ----- 3.43, 4.78 A assign (resid 66 and name HN) (resid 21 and name HB1) 3.65 1.85 1.85 ! 0.0000 902:20 Long 3.32, 3.51 A assign (resid 80 and name HN) (resid 80 and name HB1) 3.65 1.85 1.85 ! 0.0000 903:20 Intra 3.60, 3.62 A assign (resid 80 and name HN) (resid 80 and name HB2) 3.15 1.35 1.35 ! 0.0000 904:20 Intra 2.43, 2.49 A assign (resid 66 and name HN) (resid 21 and name HB2) 3.65 1.85 1.85 ! 0.0000 905:20 Long 4.59, 4.78 A assign (resid 80 and name HN) (resid 79 and name HB2) 3.65 1.85 1.85 ! 0.0000 907:20 Seq 3.97, 4.08 A assign (resid 71 and name HN) (resid 79 and name HB2) 3.65 1.85 1.85 ! 0.0000 908:20 Long 5.19, 5.46 A assign (resid 120 and name HN) (resid 120 and name HB2) 3.15 1.35 1.35 ! 0.9482 909:20 Intra 2.41, 2.50 A assign (resid 79 and name HN) (resid 79 and name HB1) 3.15 1.35 1.35 ! 0.6479 910:20 Ambig 3.69, 3.75 A or (resid 103 and name HN) (resid 79 and name HB1) ! 0.2211 910:20 ----- 4.42, 4.67 A or (resid 72 and name HN) (resid 79 and name HB1) ! 0.0966 910:20 ----- 5.07, 5.33 A assign (resid 112 and name HN) (resid 112 and name HB2) 3.15 1.35 1.35 ! 0.9998 911:20 Intra 2.40, 2.45 A assign (resid 112 and name HN) (resid 111 and name HB1) 3.15 1.35 1.35 ! 0.9892 912:20 Seq 3.51, 3.60 A assign (resid 53 and name HN) (resid 52 and name HB1) 3.15 1.35 1.35 ! 0.9999 913:20 Seq 2.22, 2.29 A assign (resid 34 and name HN) (resid 34 and name HB) 3.15 1.35 1.35 ! 0.9957 914:20 Intra 3.73, 3.77 A assign (resid 44 and name HN) (resid 32 and name HB2) 4.15 2.35 2.35 ! 0.0000 915:20 Long 3.70, 3.93 A assign (resid 112 and name HN) (resid 112 and name HB1) 3.15 1.35 1.35 ! 0.9930 916:20 Intra 3.59, 3.61 A assign (resid 53 and name HN) (resid 52 and name HB2) 3.65 1.85 1.85 ! 0.0000 917:20 Seq 3.67, 3.72 A assign (resid 120 and name HN) (resid 119 and name HB) 3.15 1.35 1.35 ! 0.7419 918:20 Ambig 4.14, 4.20 A or (resid 68 and name HN) (resid 119 and name HB) ! 0.1431 918:20 ----- 5.44, 5.59 A or (resid 112 and name HN) (resid 119 and name HB) ! 0.1150 918:20 ----- 5.64, 5.78 A assign (resid 39 and name HN) (resid 35 and name HD2) 4.15 2.35 2.35 ! 0.0000 920:20 Mid 3.86, 4.84 A assign (resid 90 and name HN) (resid 60 and name HB1) 4.15 2.35 2.35 ! 0.2609 921:20 Ambig 5.07, 5.31 A or (resid 141 and name HN) (resid 139 and name HB1) ! 0.2288 921:20 ----- 5.18, 5.60 A or (resid 115 and name HN) (resid 112 and name HB2) ! 0.1438 921:20 ----- 5.60, 5.73 A or (resid 87 and name HD21) (resid 60 and name HB1) ! 0.1176 921:20 ----- 5.79, 8.62 A or (resid 59 and name HN) (resid 60 and name HB1) ! 0.0850 921:20 ----- 6.11, 6.19 A or (resid 89 and name HN) (resid 60 and name HB1) ! 0.0534 921:20 ----- 6.61, 6.92 A or (resid 136 and name HN) (resid 139 and name HB1) ! 0.0481 921:20 ----- 6.72, 7.17 A assign (resid 111 and name HN) (resid 112 and name HB2) 3.65 1.85 1.85 ! 0.6303 922:20 Ambig 4.73, 4.80 A or (resid 62 and name HN) (resid 60 and name HB1) ! 0.2994 922:20 ----- 5.36, 5.52 A assign (resid 95 and name HN) (resid 94 and name HB1) 3.15 1.35 1.35 ! 0.9880 923:20 Seq 3.39, 3.55 A assign (resid 52 and name HN) (resid 52 and name HB1) 2.65 0.85 0.85 ! 0.9025 924:20 Intra 2.33, 2.41 A assign (resid 94 and name HN) (resid 94 and name HB1) 3.65 1.85 1.85 ! 0.8967 925:20 Ambig 3.57, 3.58 A or (resid 96 and name HN) (resid 94 and name HB1) ! 0.0911 925:20 ----- 5.23, 5.50 A assign (resid 111 and name HN) (resid 111 and name HB1) 3.15 1.35 1.35 ! 0.9262 926:20 Intra 3.55, 3.56 A assign (resid 28 and name HN) (resid 28 and name HB1) 3.15 1.35 1.35 ! 0.9962 927:20 Intra 3.58, 3.59 A assign (resid 52 and name HN) (resid 52 and name HB2) 3.15 1.35 1.35 ! 0.9996 928:20 Intra 2.49, 2.58 A assign (resid 95 and name HN) (resid 94 and name HB2) 3.15 1.35 1.35 ! 0.5050 929:20 Ambig 2.34, 2.51 A or (resid 95 and name HN) (resid 95 and name HB2) ! 0.4950 929:20 ----- 2.35, 2.41 A assign (resid 94 and name HN) (resid 94 and name HB2) 3.15 1.35 1.35 ! 0.5940 930:20 Ambig 2.48, 2.50 A or (resid 96 and name HN) (resid 95 and name HB2) ! 0.3644 930:20 ----- 2.69, 2.80 A assign (resid 111 and name HN) (resid 111 and name HB2) 3.15 1.35 1.35 ! 0.5963 931:20 Ambig 2.41, 2.43 A or (resid 97 and name HN) (resid 95 and name HB2) ! 0.3788 931:20 ----- 2.60, 2.91 A assign (resid 28 and name HN) (resid 28 and name HB2) 3.15 1.35 1.35 ! 0.9997 932:20 Intra 2.41, 2.46 A assign (resid 115 and name HD*) (resid 51 and name HE*) 3.65 1.85 1.85 ! 0.9264 933:20 Long 2.66, 5.92 A assign (resid 120 and name HD*) (resid 120 and name HB2) 3.15 1.35 1.35 ! 0.9965 934:20 Intra 2.31, 3.04 A assign (resid 80 and name HD*) (resid 80 and name HB1) 3.15 1.35 1.35 ! 0.9956 935:20 Intra 2.33, 3.04 A assign (resid 80 and name HD*) (resid 80 and name HB2) 3.15 1.35 1.35 ! 0.9914 936:20 Intra 2.41, 3.07 A assign (resid 108 and name HN) (resid 107 and name HB2) 3.65 1.85 1.85 ! 0.9991 937:20 Seq 2.36, 2.58 A assign (resid 113 and name HE) (resid 112 and name HB2) 3.15 1.35 1.35 ! 0.5118 940:20 Ambig 3.39, 4.57 A or (resid 60 and name HN) (resid 60 and name HB1) ! 0.3708 940:20 ----- 3.58, 3.61 A or (resid 110 and name HN) (resid 112 and name HB2) ! 0.0612 940:20 ----- 4.83, 5.07 A assign (resid 115 and name HD*) (resid 118 and name HB1) 3.65 1.85 1.85 ! 0.6396 941:20 Ambig 5.31, 5.77 A or (resid 120 and name HD*) (resid 118 and name HB1) ! 0.2410 941:20 ----- 6.25, 8.56 A or (resid 48 and name HN) (resid 118 and name HB1) ! 0.0731 941:20 ----- 7.62, 7.85 A assign (resid 115 and name HD*) (resid 111 and name HB1) 3.15 1.35 1.35 ! 0.8950 942:20 Ambig 2.62, 5.11 A or (resid 55 and name HE) (resid 94 and name HB1) ! 0.0841 942:20 ----- 3.89, 6.19 A assign (resid 115 and name HD*) (resid 118 and name HB2) 3.65 1.85 1.85 ! 0.4930 943:20 Ambig 4.39, 4.68 A or (resid 115 and name HD*) (resid 52 and name HB1) ! 0.4397 943:20 ----- 4.48, 6.04 A assign (resid 60 and name HN) (resid 60 and name HB2) 3.65 1.85 1.85 ! 0.9791 944:20 Intra 2.45, 2.53 A assign (resid 115 and name HD*) (resid 111 and name HB2) 3.15 1.35 1.35 ! 0.6169 945:20 Ambig 4.24, 6.71 A or (resid 55 and name HE) (resid 94 and name HB2) ! 0.1399 945:20 ----- 5.43, 7.76 A or (resid 70 and name HD*) (resid 111 and name HB2) ! 0.1235 945:20 ----- 5.55, 6.59 A or (resid 115 and name HD*) (resid 94 and name HB2) ! 0.0784 945:20 ----- 5.99, 7.72 A assign (resid 119 and name HN) (resid 119 and name HB) 2.65 0.85 0.85 ! 0.9649 946:20 Intra 2.64, 2.70 A assign (resid 86 and name HD1) (resid 63 and name HB1) 3.65 1.85 1.85 ! 0.7424 947:20 Ambig 2.67, 3.03 A or (resid 64 and name HN) (resid 63 and name HB1) ! 0.1815 947:20 ----- 3.38, 3.62 A assign (resid 63 and name HN) (resid 63 and name HB1) 4.15 2.35 2.35 ! 0.8746 948:20 Ambig 3.67, 3.71 A or (resid 86 and name HZ3) (resid 63 and name HB1) ! 0.0959 948:20 ----- 5.31, 5.62 A assign (resid 61 and name HZ2) (resid 58 and name HB1) 4.15 2.35 2.35 ! 0.0000 949:20 Mid 6.00, 6.28 A assign (resid 60 and name HN) (resid 58 and name HB1) 4.15 2.35 2.35 ! 0.9058 950:20 Mid 4.78, 5.01 A assign (resid 61 and name HZ3) (resid 58 and name HB2) 3.65 1.85 1.85 ! 0.5042 951:20 Ambig 5.53, 6.50 A or (resid 60 and name HN) (resid 58 and name HB2) ! 0.4757 951:20 ----- 5.58, 5.70 A assign (resid 64 and name HN) (resid 63 and name HB2) 3.65 1.85 1.85 ! 0.9343 952:20 Seq 2.40, 2.62 A assign (resid 39 and name HD22) (resid 35 and name HD2) 3.15 1.35 1.35 ! 0.9752 953:20 Mid 3.09, 4.33 A assign (resid 21 and name HD*) (resid 21 and name HB1) 2.65 0.85 0.85 ! 0.0000 954:20 Intra 2.48, 3.05 A assign (resid 41 and name HD*) (resid 41 and name HB1) 2.65 0.85 0.85 ! 0.9978 955:20 Intra 2.36, 3.05 A assign (resid 115 and name HE*) (resid 51 and name HE*) 3.15 1.35 1.35 ! 0.0000 956:20 Long 2.83, 5.82 A assign (resid 21 and name HD*) (resid 21 and name HB2) 3.15 1.35 1.35 ! 0.0000 957:20 Intra 2.22, 3.00 A assign (resid 21 and name HE*) (resid 21 and name HB2) 3.65 1.85 1.85 ! 0.0000 958:20 Intra 4.54, 5.02 A assign (resid 41 and name HD*) (resid 41 and name HB2) 2.65 0.85 0.85 ! 0.9198 959:20 Intra 2.29, 3.04 A assign (resid 79 and name HD*) (resid 79 and name HB2) 3.15 1.35 1.35 ! 0.9966 960:20 Intra 2.55, 3.07 A assign (resid 115 and name HE*) (resid 94 and name HB1) 3.65 1.85 1.85 ! 0.7018 961:20 Ambig 3.16, 5.13 A or (resid 115 and name HE*) (resid 111 and name HB1) ! 0.1694 961:20 ----- 4.00, 6.29 A or (resid 70 and name HZ) (resid 111 and name HB1) ! 0.1115 961:20 ----- 4.29, 4.42 A assign (resid 115 and name HE*) (resid 52 and name HB1) 3.65 1.85 1.85 ! 0.9041 962:20 Long 3.73, 5.40 A assign (resid 42 and name HD2) (resid 34 and name HB) 3.65 1.85 1.85 ! 0.3268 963:20 Ambig 5.39, 5.96 A or (resid 120 and name HE*) (resid 34 and name HB) ! 0.3146 963:20 ----- 5.42, 7.23 A or (resid 41 and name HE*) (resid 34 and name HB) ! 0.1738 963:20 ----- 5.99, 8.35 A or (resid 21 and name HE*) (resid 34 and name HB) ! 0.1606 963:20 ----- 6.07, 7.50 A assign (resid 115 and name HE*) (resid 52 and name HB2) 3.15 1.35 1.35 ! 0.9924 964:20 Long 2.28, 3.90 A assign (resid 115 and name HE*) (resid 94 and name HB2) 3.65 1.85 1.85 ! 0.5422 965:20 Ambig 4.09, 6.32 A or (resid 70 and name HZ) (resid 111 and name HB2) ! 0.2561 965:20 ----- 4.64, 4.79 A or (resid 115 and name HE*) (resid 111 and name HB2) ! 0.0979 965:20 ----- 5.44, 7.78 A or (resid 68 and name HZ) (resid 94 and name HB2) ! 0.0383 965:20 ----- 6.36, 6.61 A assign (resid 61 and name HD1) (resid 58 and name HB1) 4.15 2.35 2.35 ! 0.0000 966:20 Mid 5.80, 5.96 A assign (resid 70 and name HA) (resid 80 and name HB1) 3.65 1.85 1.85 ! 0.0000 967:20 Long 5.24, 5.43 A assign (resid 21 and name HA) (resid 21 and name HB1) 2.65 0.85 0.85 ! 0.9705 968:20 Intra 2.34, 2.39 A assign (resid 80 and name HA) (resid 80 and name HB1) 3.15 1.35 1.35 ! 0.9813 970:20 Intra 2.39, 2.45 A assign (resid 80 and name HA) (resid 80 and name HB2) 3.15 1.35 1.35 ! 0.9690 971:20 Intra 3.00, 3.02 A assign (resid 41 and name HA) (resid 41 and name HB1) 3.15 1.35 1.35 ! 0.9859 972:20 Intra 2.45, 2.50 A assign (resid 79 and name HA) (resid 80 and name HB1) 3.65 1.85 1.85 ! 0.5915 973:20 Ambig 5.58, 5.61 A or (resid 71 and name HA) (resid 80 and name HB1) ! 0.3274 973:20 ----- 6.16, 6.26 A assign (resid 21 and name HA) (resid 21 and name HB2) 3.15 1.35 1.35 ! 0.8755 974:20 Ambig 3.00, 3.02 A or (resid 22 and name HA) (resid 21 and name HB2) ! 0.1207 974:20 ----- 4.18, 4.30 A assign (resid 65 and name HA) (resid 21 and name HB2) 4.15 2.35 2.35 ! 0.0000 975:20 Long 3.99, 4.16 A assign (resid 79 and name HA) (resid 79 and name HB1) 3.15 1.35 1.35 ! 0.9798 976:20 Intra 2.46, 2.49 A assign (resid 79 and name HA) (resid 79 and name HB2) 3.65 1.85 1.85 ! 0.8920 977:20 Ambig 3.00, 3.01 A or (resid 78 and name HA) (resid 79 and name HB2) ! 0.1007 977:20 ----- 4.31, 4.40 A assign (resid 104 and name HA) (resid 104 and name HB1) 3.15 1.35 1.35 ! 0.9995 978:20 Intra 2.45, 2.51 A assign (resid 104 and name HA) (resid 104 and name HB2) 3.15 1.35 1.35 ! 0.0000 979:20 Intra 2.97, 3.00 A assign (resid 115 and name HA) (resid 118 and name HB1) 4.15 2.35 2.35 ! 0.7945 980:20 Ambig 5.70, 5.85 A or (resid 69 and name HA) (resid 118 and name HB1) ! 0.0863 980:20 ----- 8.26, 8.57 A or (resid 120 and name HA) (resid 118 and name HB1) ! 0.0731 980:20 ----- 8.49, 8.64 A assign (resid 39 and name HA) (resid 35 and name HD2) 3.15 1.35 1.35 ! 0.9983 983:20 Mid 2.26, 3.58 A assign (resid 107 and name HA) (resid 107 and name HB2) 2.65 0.85 0.85 ! 0.9893 984:20 Intra 3.00, 3.01 A assign (resid 3 and name HA) (resid 3 and name HB1) 2.65 0.85 0.85 ! 0.8218 987:20 Ambig 2.32, 2.57 A or (resid 12 and name HA) (resid 12 and name HB2) ! 0.1773 987:20 ----- 3.00, 3.02 A assign (resid 3 and name HA) (resid 3 and name HB2) 2.65 0.85 0.85 ! 0.0000 988:20 Intra 2.34, 2.80 A assign (resid 32 and name HA) (resid 32 and name HB1) 3.15 1.35 1.35 ! 0.9900 989:20 Intra 2.44, 2.46 A assign (resid 16 and name HA) (resid 36 and name HB1) 2.65 0.85 0.85 ! 0.5372 990:20 Ambig 2.36, 2.76 A or (resid 36 and name HA) (resid 36 and name HB1) ! 0.4623 990:20 ----- 2.42, 2.44 A assign (resid 18 and name HA) (resid 36 and name HB1) 3.65 1.85 1.85 ! 0.8792 991:20 Ambig 3.96, 4.13 A or (resid 39 and name HA) (resid 36 and name HB1) ! 0.1208 991:20 ----- 5.52, 5.72 A assign (resid 118 and name HA) (resid 118 and name HB1) 3.65 1.85 1.85 ! 0.9957 992:20 Intra 2.37, 2.38 A assign (resid 123 and name HA) (resid 123 and name HB1) 2.65 0.85 0.85 ! 0.7859 993:20 Ambig 2.38, 2.45 A or (resid 118 and name HA) (resid 118 and name HB2) ! 0.1938 993:20 ----- 3.00, 3.01 A assign (resid 95 and name HA) (resid 95 and name HB1) 3.15 1.35 1.35 ! 0.9826 994:20 Intra 2.43, 2.48 A assign (resid 67 and name HA) (resid 118 and name HB1) 3.65 1.85 1.85 ! 0.0000 995:20 Long 3.08, 3.29 A assign (resid 95 and name HA) (resid 94 and name HB1) 3.65 1.85 1.85 ! 0.9718 996:20 Seq 4.21, 4.33 A assign (resid 94 and name HA) (resid 94 and name HB1) 2.65 0.85 0.85 ! 0.5159 997:20 Ambig 2.43, 2.46 A or (resid 111 and name HA) (resid 111 and name HB1) ! 0.4797 997:20 ----- 2.46, 2.48 A assign (resid 139 and name HA) (resid 139 and name HB1) 2.65 0.85 0.85 ! 0.9235 998:20 Intra 2.35, 2.43 A assign (resid 32 and name HA) (resid 32 and name HB2) 3.15 1.35 1.35 ! 0.8957 1000:20 Ambig 2.99, 3.01 A or (resid 31 and name HA) (resid 32 and name HB2) ! 0.0818 1000:20 ----- 4.45, 4.61 A assign (resid 95 and name HA) (resid 95 and name HB2) 3.15 1.35 1.35 ! 0.9622 1001:20 Intra 2.98, 3.00 A assign (resid 123 and name HA) (resid 123 and name HB2) 2.65 0.85 0.85 ! 0.6635 1002:20 Ambig 3.00, 3.02 A or (resid 7 and name HA) (resid 10 and name HB2) ! 0.1893 1002:20 ----- 3.70, 8.70 A or (resid 122 and name HA) (resid 123 and name HB2) ! 0.0642 1002:20 ----- 4.43, 4.57 A assign (resid 132 and name HA) (resid 135 and name HB*) 2.30 0.50 0.50 ! 0.5678 1004:20 Ambig 2.32, 3.99 A or (resid 135 and name HA) (resid 135 and name HB*) ! 0.3978 1004:20 ----- 2.46, 2.77 A assign (resid 136 and name HA) (resid 139 and name HB2) 2.65 0.85 0.85 ! 0.6862 1005:20 Ambig 2.48, 3.25 A or (resid 139 and name HA) (resid 139 and name HB2) ! 0.2243 1005:20 ----- 2.99, 3.01 A assign (resid 63 and name HA) (resid 63 and name HB1) 3.65 1.85 1.85 ! 0.9978 1006:20 Intra 2.44, 2.47 A assign (resid 60 and name HA) (resid 63 and name HB1) 3.65 1.85 1.85 ! 0.9745 1007:20 Mid 3.63, 3.71 A assign (resid 36 and name HA) (resid 36 and name HB2) 3.15 1.35 1.35 ! 0.7085 1008:20 Ambig 3.01, 3.02 A or (resid 16 and name HA) (resid 36 and name HB2) ! 0.2898 1008:20 ----- 3.49, 3.88 A assign (resid 39 and name HA) (resid 36 and name HB2) 3.65 1.85 1.85 ! 0.7139 1009:20 Ambig 4.17, 4.35 A or (resid 18 and name HA) (resid 36 and name HB2) ! 0.2861 1009:20 ----- 4.86, 5.02 A assign (resid 57 and name HA) (resid 58 and name HB1) 4.15 2.35 2.35 ! 0.0000 1010:20 Seq 4.44, 4.67 A assign (resid 57 and name HA) (resid 58 and name HB2) 4.15 2.35 2.35 ! 0.0000 1011:20 Seq 4.07, 4.21 A assign (resid 63 and name HA) (resid 63 and name HB2) 3.65 1.85 1.85 ! 0.9819 1012:20 Intra 3.00, 3.01 A assign (resid 60 and name HA) (resid 63 and name HB2) 3.65 1.85 1.85 ! 0.9988 1013:20 Mid 1.99, 2.10 A assign (resid 87 and name HB1) (resid 83 and name HA1) 3.65 1.85 1.85 ! 0.9851 1015:20 Mid 3.03, 3.31 A assign (resid 87 and name HB1) (resid 83 and name HA2) 3.65 1.85 1.85 ! 0.8741 1016:20 Ambig 4.75, 5.05 A or (resid 86 and name HB2) (resid 83 and name HA2) ! 0.0719 1016:20 ----- 7.21, 7.69 A assign (resid 35 and name HA) (resid 35 and name HD2) 3.65 1.85 1.85 ! 0.0000 1017:20 Intra 4.56, 4.71 A assign (resid 109 and name HA) (resid 112 and name HB2) 2.65 0.85 0.85 ! 0.8619 1019:20 Ambig 2.20, 2.47 A or (resid 112 and name HA) (resid 112 and name HB2) ! 0.1373 1019:20 ----- 2.99, 3.00 A assign (resid 49 and name HA) (resid 52 and name HB1) 3.15 1.35 1.35 ! 0.9738 1020:20 Mid 2.18, 2.30 A assign (resid 91 and name HA) (resid 94 and name HB1) 3.15 1.35 1.35 ! 0.9321 1021:20 Mid 3.97, 4.22 A assign (resid 28 and name HA) (resid 28 and name HB1) 3.15 1.35 1.35 ! 0.9600 1022:20 Intra 2.45, 2.49 A assign (resid 67 and name HD*) (resid 34 and name HB) 3.65 1.85 1.85 ! 0.0000 1023:20 Long 3.61, 4.26 A assign (resid 112 and name HA) (resid 112 and name HB1) 2.65 0.85 0.85 ! 0.9006 1024:20 Intra 2.50, 2.52 A assign (resid 112 and name HA) (resid 119 and name HB) 3.65 1.85 1.85 ! 0.8440 1025:20 Ambig 3.54, 3.70 A or (resid 125 and name HD*) (resid 123 and name HB2) ! 0.1560 1025:20 ----- 4.70, 6.27 A assign (resid 49 and name HA) (resid 52 and name HB2) 3.65 1.85 1.85 ! 0.9782 1026:20 Mid 2.85, 3.03 A assign (resid 91 and name HA) (resid 94 and name HB2) 3.65 1.85 1.85 ! 0.9767 1027:20 Mid 2.35, 2.58 A assign (resid 25 and name HA) (resid 28 and name HB2) 3.15 1.35 1.35 ! 0.7282 1028:20 Ambig 2.55, 2.89 A or (resid 28 and name HA) (resid 28 and name HB2) ! 0.2718 1028:20 ----- 3.00, 3.01 A assign (resid 86 and name HB1) (resid 63 and name HB2) 3.65 1.85 1.85 ! 0.9993 1029:20 Long 2.71, 2.82 A assign (resid 84 and name HG*) (resid 83 and name HA1) 3.65 1.85 1.85 ! 0.9829 1030:20 Seq 3.87, 5.06 A assign (resid 88 and name HE1) (resid 83 and name HA1) 3.65 1.85 1.85 ! 0.9053 1031:20 Long 3.91, 4.75 A assign (resid 87 and name HB2) (resid 83 and name HA1) 3.65 1.85 1.85 ! 0.9947 1032:20 Mid 2.37, 2.76 A assign (resid 88 and name HE1) (resid 83 and name HA2) 4.15 2.35 2.35 ! 0.6471 1033:20 Ambig 4.66, 5.40 A or (resid 65 and name HE*) (resid 83 and name HA2) ! 0.3444 1033:20 ----- 5.18, 7.76 A assign (resid 87 and name HB2) (resid 83 and name HA2) 3.65 1.85 1.85 ! 0.9695 1034:20 Mid 3.92, 4.37 A assign (resid 84 and name HG*) (resid 83 and name HA2) 3.65 1.85 1.85 ! 0.9752 1035:20 Seq 3.82, 4.59 A assign (resid 115 and name HB1) (resid 118 and name HB2) 3.15 1.35 1.35 ! 0.5959 1039:20 Ambig 2.15, 2.28 A or (resid 113 and name HD*) (resid 112 and name HB2) ! 0.4039 1039:20 ----- 2.30, 4.16 A assign (resid 84 and name HB*) (resid 83 and name HA1) 3.65 1.85 1.85 ! 0.0000 1041:20 Seq 4.56, 5.28 A assign (resid 84 and name HB*) (resid 83 and name HA2) 3.65 1.85 1.85 ! 0.0000 1042:20 Seq 4.91, 5.53 A assign (resid 55 and name HB1) (resid 55 and name HD*) 2.65 0.85 0.85 ! 0.7746 1043:20 Ambig 2.33, 3.04 A or (resid 109 and name HB*) (resid 113 and name HD*) ! 0.1396 1043:20 ----- 3.10, 5.31 A assign (resid 113 and name HB*) (resid 113 and name HD*) 2.30 0.50 0.50 ! 0.2758 1044:20 Ambig 2.30, 3.25 A or (resid 113 and name HG2) (resid 113 and name HD*) ! 0.2533 1044:20 ----- 2.34, 2.71 A or (resid 55 and name HG2) (resid 55 and name HD*) ! 0.2403 1044:20 ----- 2.36, 2.72 A or (resid 55 and name HB2) (resid 55 and name HD*) ! 0.2296 1044:20 ----- 2.38, 2.85 A assign (resid 89 and name HD*) (resid 89 and name HE*) 2.30 0.50 0.50 ! 0.3532 1046:20 Ambig 2.32, 2.63 A or (resid 25 and name HD*) (resid 25 and name HE*) ! 0.3298 1046:20 ----- 2.35, 2.66 A or (resid 43 and name HB1) (resid 45 and name HE*) ! 0.2845 1046:20 ----- 2.40, 3.60 A assign (resid 103 and name HB) (resid 79 and name HB2) 3.65 1.85 1.85 ! 0.4793 1047:20 Ambig 4.66, 4.94 A or (resid 102 and name HB) (resid 79 and name HB2) ! 0.3219 1047:20 ----- 4.98, 5.37 A or (resid 71 and name HB) (resid 79 and name HB2) ! 0.0529 1047:20 ----- 6.73, 6.88 A or (resid 81 and name HB) (resid 79 and name HB2) ! 0.0443 1047:20 ----- 6.93, 7.08 A or (resid 72 and name HB1) (resid 79 and name HB2) ! 0.0344 1047:20 ----- 7.23, 7.52 A assign (resid 58 and name HA) (resid 58 and name HB1) 2.65 0.85 0.85 ! 0.0000 1056:20 Intra 2.99, 3.02 A assign (resid 58 and name HA) (resid 58 and name HB2) 2.65 0.85 0.85 ! 0.0000 1057:20 Intra 2.37, 2.51 A assign (resid 127 and name HG*) (resid 127 and name HD*) 2.30 0.50 0.50 ! 0.5024 1058:20 Ambig 2.29, 2.62 A or (resid 113 and name HG1) (resid 113 and name HD*) ! 0.4465 1058:20 ----- 2.33, 2.66 A assign (resid 35 and name HB*) (resid 35 and name HD1) 2.65 0.85 0.85 ! 0.6180 1059:20 Ambig 2.50, 3.57 A or (resid 112 and name HB1) (resid 113 and name HD*) ! 0.3638 1059:20 ----- 2.73, 4.74 A assign (resid 4 and name HD*) (resid 4 and name HE*) 2.30 0.50 0.50 ! 0.5144 1061:20 Ambig 2.39, 2.65 A or (resid 88 and name HD1) (resid 88 and name HE2) ! 0.4856 1061:20 ----- 2.42, 2.44 A assign (resid 72 and name HD*) (resid 72 and name HE*) 2.30 0.50 0.50 ! 0.0000 1062:20 Intra 2.31, 2.66 A assign (resid 4 and name HG*) (resid 4 and name HE*) 2.30 0.50 0.50 ! 0.2003 1063:20 Ambig 2.35, 3.36 A or (resid 46 and name HG2) (resid 46 and name HE2) ! 0.1916 1063:20 ----- 2.37, 2.81 A or (resid 31 and name HG*) (resid 31 and name HE*) ! 0.1858 1063:20 ----- 2.38, 3.31 A or (resid 46 and name HG1) (resid 46 and name HE2) ! 0.1768 1063:20 ----- 2.40, 2.54 A or (resid 110 and name HG2) (resid 110 and name HE*) ! 0.1710 1063:20 ----- 2.42, 3.27 A assign (resid 45 and name HD*) (resid 45 and name HE*) 2.30 0.50 0.50 ! 0.3280 1065:20 Ambig 2.37, 2.62 A or (resid 89 and name HG1) (resid 89 and name HE*) ! 0.3112 1065:20 ----- 2.39, 3.15 A or (resid 43 and name HB2) (resid 45 and name HE*) ! 0.2852 1065:20 ----- 2.42, 3.84 A assign (resid 51 and name HG*) (resid 51 and name HE*) 2.30 0.50 0.50 ! 0.5355 1066:20 Ambig 2.41, 3.08 A or (resid 46 and name HD1) (resid 46 and name HE1) ! 0.4633 1066:20 ----- 2.47, 2.56 A assign (resid 33 and name HD*) (resid 33 and name HE*) 2.30 0.50 0.50 ! 0.4136 1067:20 Ambig 2.37, 2.70 A or (resid 33 and name HG1) (resid 33 and name HE*) ! 0.3469 1067:20 ----- 2.45, 3.44 A or (resid 33 and name HD*) (resid 41 and name HB2) ! 0.1993 1067:20 ----- 2.68, 3.84 A assign (resid 36 and name HG) (resid 36 and name HB1) 2.65 0.85 0.85 ! 0.9985 1069:20 Intra 2.99, 3.00 A assign (resid 36 and name HD1*) (resid 36 and name HB1) 2.65 0.85 0.85 ! 0.9847 1071:20 Intra 2.45, 3.08 A assign (resid 103 and name HG12) (resid 79 and name HB2) 3.65 1.85 1.85 ! 0.9568 1072:20 Long 2.97, 3.30 A assign (resid 34 and name HG11) (resid 34 and name HB) 2.65 0.85 0.85 ! 0.9952 1076:20 Intra 3.01, 3.02 A assign (resid 34 and name HG12) (resid 34 and name HB) 2.65 0.85 0.85 ! 0.9201 1077:20 Intra 2.59, 2.61 A assign (resid 36 and name HG) (resid 36 and name HB2) 3.15 1.35 1.35 ! 0.0000 1078:20 Intra 2.41, 2.43 A assign (resid 36 and name HD1*) (resid 36 and name HB2) 3.15 1.35 1.35 ! 0.9902 1079:20 Intra 2.39, 3.04 A assign (resid 69 and name HD1*) (resid 83 and name HA1) 4.15 2.35 2.35 ! 0.8358 1082:20 Ambig 4.06, 5.63 A or (resid 64 and name HG1*) (resid 83 and name HA1) ! 0.1005 1082:20 ----- 5.77, 6.94 A assign (resid 35 and name HG*) (resid 35 and name HD1) 2.30 0.50 0.50 ! 0.5910 1083:20 Ambig 2.33, 2.48 A or (resid 94 and name HD2*) (resid 55 and name HD*) ! 0.3813 1083:20 ----- 2.51, 4.14 A assign (resid 72 and name HG2) (resid 72 and name HE*) 2.65 0.85 0.85 ! 0.8578 1084:20 Ambig 2.26, 2.94 A or (resid 95 and name HD2*) (resid 97 and name HD*) ! 0.0342 1084:20 ----- 3.86, 6.62 A or (resid 123 and name HD2*) (resid 72 and name HE*) ! 0.0276 1084:20 ----- 4.00, 5.54 A assign (resid 22 and name HG1*) (resid 31 and name HE*) 2.65 0.85 0.85 ! 0.5804 1085:20 Ambig 1.98, 5.16 A or (resid 95 and name HD2*) (resid 110 and name HE*) ! 0.4196 1085:20 ----- 2.09, 4.73 A assign (resid 95 and name HD2*) (resid 107 and name HB2) 3.15 1.35 1.35 ! 0.6238 1086:20 Ambig 4.40, 5.73 A or (resid 104 and name HD2*) (resid 107 and name HB2) ! 0.3182 1086:20 ----- 4.93, 6.61 A assign (resid 95 and name HD1*) (resid 107 and name HB2) 2.65 0.85 0.85 ! 0.8031 1087:20 Ambig 3.28, 4.04 A or (resid 111 and name HD1*) (resid 107 and name HB2) ! 0.1343 1087:20 ----- 4.42, 5.61 A assign (resid 103 and name HG11) (resid 107 and name HB2) 3.15 1.35 1.35 ! 0.7337 1088:20 Ambig 3.15, 3.48 A or (resid 103 and name HG2*) (resid 107 and name HB2) ! 0.2663 1088:20 ----- 3.73, 4.51 A assign (resid 32 and name HG) (resid 32 and name HB1) 3.15 1.35 1.35 ! 0.8997 1090:20 Ambig 2.99, 3.01 A or (resid 44 and name HG1*) (resid 32 and name HB1) ! 0.0991 1090:20 ----- 4.32, 5.06 A assign (resid 32 and name HD2*) (resid 32 and name HB1) 3.15 1.35 1.35 ! 0.5426 1091:20 Ambig 2.41, 3.04 A or (resid 32 and name HD1*) (resid 32 and name HB1) ! 0.3973 1091:20 ----- 2.54, 3.11 A assign (resid 36 and name HD2*) (resid 36 and name HB1) 3.15 1.35 1.35 ! 0.0000 1092:20 Intra 2.48, 3.11 A assign (resid 81 and name HG2*) (resid 79 and name HB2) 3.15 1.35 1.35 ! 0.6663 1093:20 Ambig 4.55, 5.29 A or (resid 121 and name HD1*) (resid 79 and name HB2) ! 0.0838 1093:20 ----- 6.43, 7.29 A or (resid 91 and name HG2*) (resid 79 and name HB2) ! 0.0628 1093:20 ----- 6.75, 7.74 A or (resid 102 and name HG2*) (resid 79 and name HB2) ! 0.0459 1093:20 ----- 7.11, 7.79 A or (resid 95 and name HD1*) (resid 79 and name HB2) ! 0.0447 1093:20 ----- 7.14, 7.98 A assign (resid 103 and name HG11) (resid 79 and name HB2) 3.65 1.85 1.85 ! 0.9956 1094:20 Long 2.21, 2.51 A assign (resid 106 and name HG1*) (resid 104 and name HB1) 2.65 0.85 0.85 ! 0.4504 1095:20 Ambig 2.24, 3.45 A or (resid 104 and name HD1*) (resid 104 and name HB1) ! 0.2781 1095:20 ----- 2.42, 3.07 A or (resid 104 and name HD2*) (resid 104 and name HB1) ! 0.2690 1095:20 ----- 2.44, 3.25 A assign (resid 106 and name HG1*) (resid 104 and name HB2) 2.65 0.85 0.85 ! 0.5346 1096:20 Ambig 2.15, 3.10 A or (resid 104 and name HD1*) (resid 104 and name HB2) ! 0.2613 1096:20 ----- 2.42, 3.18 A or (resid 104 and name HD2*) (resid 104 and name HB2) ! 0.2011 1096:20 ----- 2.53, 3.79 A assign (resid 119 and name HD1*) (resid 111 and name HB1) 2.30 0.50 0.50 ! 0.5905 1097:20 Ambig 2.01, 2.59 A or (resid 111 and name HD2*) (resid 111 and name HB1) ! 0.1781 1097:20 ----- 2.45, 3.07 A or (resid 94 and name HD2*) (resid 94 and name HB1) ! 0.1664 1097:20 ----- 2.48, 3.09 A assign (resid 112 and name HD1*) (resid 112 and name HB2) 2.30 0.50 0.50 ! 0.2745 1098:20 Ambig 2.39, 3.01 A or (resid 139 and name HD1*) (resid 139 and name HB1) ! 0.2383 1098:20 ----- 2.44, 3.08 A or (resid 139 and name HD2*) (resid 139 and name HB1) ! 0.2047 1098:20 ----- 2.51, 3.14 A or (resid 60 and name HD2*) (resid 60 and name HB1) ! 0.1703 1098:20 ----- 2.58, 3.21 A or (resid 63 and name HB2) (resid 60 and name HB1) ! 0.0466 1098:20 ----- 3.21, 3.37 A assign (resid 94 and name HD1*) (resid 94 and name HB1) 2.65 0.85 0.85 ! 0.9861 1099:20 Intra 2.49, 3.11 A assign (resid 52 and name HD2*) (resid 52 and name HB1) 2.65 0.85 0.85 ! 0.8722 1100:20 Ambig 2.40, 3.01 A or (resid 52 and name HD1*) (resid 52 and name HB1) ! 0.0677 1100:20 ----- 3.67, 3.89 A assign (resid 34 and name HG2*) (resid 34 and name HB) 2.30 0.50 0.50 ! 0.5601 1101:20 Ambig 2.35, 2.60 A or (resid 34 and name HD1*) (resid 34 and name HB) ! 0.4203 1101:20 ----- 2.46, 3.06 A assign (resid 28 and name HD2*) (resid 28 and name HB1) 2.65 0.85 0.85 ! 0.9993 1102:20 Intra 2.40, 3.05 A assign (resid 112 and name HD2*) (resid 112 and name HB1) 2.30 0.50 0.50 ! 0.4439 1103:20 Ambig 2.44, 3.08 A or (resid 112 and name HD1*) (resid 112 and name HB1) ! 0.4022 1103:20 ----- 2.48, 3.10 A or (resid 91 and name HG2*) (resid 95 and name HB2) ! 0.0717 1103:20 ----- 3.30, 4.27 A assign (resid 135 and name HD1*) (resid 135 and name HB*) 2.30 0.50 0.50 ! 0.3712 1104:20 Ambig 2.44, 3.28 A or (resid 135 and name HD2*) (resid 135 and name HB*) ! 0.3418 1104:20 ----- 2.48, 3.52 A or (resid 139 and name HD1*) (resid 135 and name HB*) ! 0.2770 1104:20 ----- 2.57, 5.01 A assign (resid 139 and name HD1*) (resid 139 and name HB2) 2.30 0.50 0.50 ! 0.6339 1105:20 Ambig 2.44, 3.08 A or (resid 118 and name HD1*) (resid 52 and name HB2) ! 0.1913 1105:20 ----- 2.98, 3.45 A or (resid 139 and name HD2*) (resid 139 and name HB2) ! 0.0568 1105:20 ----- 3.65, 3.90 A or (resid 60 and name HD2*) (resid 60 and name HB2) ! 0.0529 1105:20 ----- 3.69, 3.90 A assign (resid 94 and name HD1*) (resid 94 and name HB2) 2.65 0.85 0.85 ! 0.9692 1106:20 Intra 2.36, 2.98 A assign (resid 28 and name HD2*) (resid 28 and name HB2) 2.65 0.85 0.85 ! 0.9757 1107:20 Intra 3.62, 3.89 A assign (resid 119 and name HG2*) (resid 119 and name HB) 2.30 0.50 0.50 ! 0.9934 1108:20 Intra 2.41, 2.64 A assign (resid 63 and name HD2*) (resid 63 and name HB1) 3.15 1.35 1.35 ! 0.0000 1110:20 Intra 2.39, 3.05 A assign (resid 36 and name HD2*) (resid 36 and name HB2) 3.15 1.35 1.35 ! 0.0000 1111:20 Intra 3.69, 3.89 A assign (resid 58 and name HG) (resid 58 and name HB1) 2.65 0.85 0.85 ! 0.9968 1112:20 Intra 2.45, 2.48 A assign (resid 58 and name HG) (resid 58 and name HB2) 2.65 0.85 0.85 ! 0.9985 1113:20 Intra 2.35, 2.44 A assign (resid 58 and name HD1*) (resid 58 and name HB1) 3.15 1.35 1.35 ! 0.0000 1114:20 Intra 2.51, 3.19 A assign (resid 58 and name HD1*) (resid 58 and name HB2) 3.15 1.35 1.35 ! 0.0000 1115:20 Intra 2.41, 3.82 A assign (resid 58 and name HD2*) (resid 58 and name HB1) 3.65 1.85 1.85 ! 0.0000 1116:20 Intra 2.29, 3.81 A assign (resid 58 and name HD2*) (resid 58 and name HB2) 3.65 1.85 1.85 ! 0.9993 1117:20 Intra 2.51, 3.16 A assign (resid 63 and name HD2*) (resid 63 and name HB2) 3.15 1.35 1.35 ! 0.9928 1118:20 Intra 3.63, 3.88 A assign (resid 103 and name HD1*) (resid 107 and name HB2) 3.15 1.35 1.35 ! 0.0000 1119:20 Mid 2.43, 3.76 A assign (resid 108 and name HG2*) (resid 79 and name HB1) 3.65 1.85 1.85 ! 0.0000 1120:20 Long 2.98, 3.86 A assign (resid 108 and name HG2*) (resid 79 and name HB2) 3.65 1.85 1.85 ! 0.0000 1121:20 Long 2.21, 2.88 A assign (resid 66 and name HG2*) (resid 118 and name HB2) 3.65 1.85 1.85 ! 0.9049 1122:20 Long 4.81, 5.60 A assign (resid 28 and name HD1*) (resid 28 and name HB1) 3.15 1.35 1.35 ! 0.9994 1123:20 Intra 2.49, 3.12 A assign (resid 28 and name HD1*) (resid 28 and name HB2) 3.15 1.35 1.35 ! 0.9994 1124:20 Intra 2.31, 2.96 A assign (resid 63 and name HD1*) (resid 63 and name HB1) 3.15 1.35 1.35 ! 0.0000 1125:20 Intra 2.39, 3.09 A assign (resid 63 and name HD1*) (resid 63 and name HB2) 3.15 1.35 1.35 ! 0.0000 1126:20 Intra 2.43, 3.01 A assign (resid 71 and name HN) (resid 70 and name HB1) 3.65 1.85 1.85 ! 0.0000 1127:20 Seq 3.23, 3.33 A assign (resid 71 and name HN) (resid 70 and name HB2) 3.65 1.85 1.85 ! 0.0000 1128:20 Seq 4.14, 4.20 A assign (resid 71 and name HN) (resid 71 and name HB) 3.15 1.35 1.35 ! 0.9996 1129:20 Intra 2.58, 2.64 A assign (resid 66 and name HN) (resid 66 and name HB) 3.65 1.85 1.85 ! 0.0000 1130:20 Intra 3.65, 3.67 A assign (resid 72 and name HN) (resid 70 and name HB2) 4.15 2.35 2.35 ! 0.5235 1131:20 Ambig 5.27, 5.51 A or (resid 22 and name HN) (resid 26 and name HB1) ! 0.3038 1131:20 ----- 5.77, 5.89 A or (resid 79 and name HN) (resid 70 and name HB2) ! 0.0828 1131:20 ----- 7.17, 7.28 A assign (resid 70 and name HN) (resid 70 and name HB2) 3.15 1.35 1.35 ! 0.7833 1132:20 Ambig 2.62, 2.69 A or (resid 23 and name HN) (resid 26 and name HB1) ! 0.2163 1132:20 ----- 3.24, 3.33 A assign (resid 68 and name HN) (resid 68 and name HB1) 3.15 1.35 1.35 ! 0.8492 1133:20 Ambig 3.61, 3.62 A or (resid 120 and name HN) (resid 68 and name HB1) ! 0.1508 1133:20 ----- 4.82, 4.90 A assign (resid 68 and name HN) (resid 68 and name HB2) 3.15 1.35 1.35 ! 0.9215 1134:20 Intra 2.48, 2.50 A assign (resid 23 and name HN) (resid 26 and name HB2) 3.65 1.85 1.85 ! 0.0000 1135:20 Mid 1.80, 1.92 A assign (resid 50 and name HN) (resid 47 and name HB2) 4.15 2.35 2.35 ! 0.9701 1136:20 Mid 5.36, 5.52 A assign (resid 50 and name HN) (resid 47 and name HB1) 4.15 2.35 2.35 ! 0.0000 1137:20 Mid 5.18, 5.36 A assign (resid 103 and name HN) (resid 103 and name HB) 3.15 1.35 1.35 ! 0.5010 1138:20 Ambig 3.76, 3.78 A or (resid 72 and name HN) (resid 71 and name HB) ! 0.3468 1138:20 ----- 3.99, 4.12 A or (resid 79 and name HN) (resid 103 and name HB) ! 0.0931 1138:20 ----- 4.97, 5.17 A assign (resid 122 and name HN) (resid 122 and name HB) 3.15 1.35 1.35 ! 0.8808 1139:20 Ambig 2.41, 2.57 A or (resid 72 and name HN) (resid 122 and name HB) ! 0.1192 1139:20 ----- 3.36, 3.81 A assign (resid 120 and name HN) (resid 69 and name HB) 3.65 1.85 1.85 ! 0.6874 1140:20 Ambig 5.68, 5.82 A or (resid 68 and name HN) (resid 69 and name HB) ! 0.3126 1140:20 ----- 6.47, 6.58 A assign (resid 70 and name HN) (resid 69 and name HB) 3.65 1.85 1.85 ! 0.0000 1141:20 Seq 4.15, 4.21 A assign (resid 68 and name HN) (resid 66 and name HB) 3.65 1.85 1.85 ! 0.9747 1142:20 Mid 3.79, 3.89 A assign (resid 44 and name HN) (resid 44 and name HB) 3.15 1.35 1.35 ! 0.9995 1143:20 Intra 2.24, 2.33 A assign (resid 45 and name HN) (resid 44 and name HB) 3.65 1.85 1.85 ! 0.9380 1144:20 Seq 4.09, 4.19 A assign (resid 81 and name HN) (resid 101 and name HB1) 3.65 1.85 1.85 ! 0.5435 1145:20 Ambig 3.45, 3.84 A or (resid 101 and name HN) (resid 101 and name HB1) ! 0.3067 1145:20 ----- 3.79, 3.96 A or (resid 28 and name HN) (resid 29 and name HB1) ! 0.1439 1145:20 ----- 4.30, 4.65 A assign (resid 28 and name HN) (resid 29 and name HB2) 4.15 2.35 2.35 ! 0.0000 1146:20 Seq 4.66, 4.83 A assign (resid 31 and name HN) (resid 29 and name HB1) 3.15 1.35 1.35 ! 0.4440 1147:20 Ambig 2.95, 3.23 A or (resid 27 and name HN) (resid 26 and name HB1) ! 0.4052 1147:20 ----- 2.99, 3.31 A or (resid 31 and name HN) (resid 26 and name HB1) ! 0.0886 1147:20 ----- 3.85, 4.01 A assign (resid 31 and name HN) (resid 29 and name HB2) 3.65 1.85 1.85 ! 0.7148 1148:20 Ambig 4.59, 4.81 A or (resid 27 and name HN) (resid 29 and name HB2) ! 0.2852 1148:20 ----- 5.35, 5.60 A assign (resid 26 and name HN) (resid 29 and name HB2) 4.15 2.35 2.35 ! 0.0000 1149:20 Mid 4.90, 5.19 A assign (resid 102 and name HN) (resid 101 and name HB1) 3.65 1.85 1.85 ! 0.0000 1150:20 Seq 3.67, 4.08 A assign (resid 29 and name HN) (resid 29 and name HB2) 3.65 1.85 1.85 ! 0.9537 1151:20 Intra 2.49, 2.61 A assign (resid 115 and name HN) (resid 115 and name HB1) 3.65 1.85 1.85 ! 0.0000 1152:20 Intra 3.77, 3.80 A assign (resid 115 and name HN) (resid 115 and name HB2) 3.15 1.35 1.35 ! 0.0000 1153:20 Intra 2.71, 2.78 A assign (resid 105 and name HD21) (resid 105 and name HB*) 3.65 1.85 1.85 ! 0.9958 1154:20 Intra 2.09, 2.68 A assign (resid 27 and name HN) (resid 26 and name HB2) 3.15 1.35 1.35 ! 0.9886 1155:20 Seq 2.43, 2.57 A assign (resid 84 and name HN) (resid 84 and name HG*) 3.65 1.85 1.85 ! 0.9593 1156:20 Intra 1.92, 3.10 A assign (resid 92 and name HN) (resid 99 and name HB) 4.15 2.35 2.35 ! 0.0000 1157:20 Long 3.43, 4.01 A assign (resid 94 and name HN) (resid 93 and name HB) 3.15 1.35 1.35 ! 0.9745 1158:20 Seq 2.57, 2.73 A assign (resid 93 and name HN) (resid 93 and name HB) 3.15 1.35 1.35 ! 0.9979 1159:20 Intra 2.39, 2.44 A assign (resid 40 and name HD*) (resid 40 and name HB1) 2.65 0.85 0.85 ! 0.5366 1160:20 Ambig 2.28, 3.03 A or (resid 14 and name HD*) (resid 14 and name HB2) ! 0.4107 1160:20 ----- 2.39, 3.05 A assign (resid 68 and name HD*) (resid 87 and name HB1) 3.15 1.35 1.35 ! 0.9569 1161:20 Long 2.38, 4.69 A assign (resid 68 and name HE*) (resid 87 and name HB1) 3.15 1.35 1.35 ! 0.9792 1162:20 Long 3.09, 5.36 A assign (resid 29 and name HN) (resid 29 and name HB1) 3.65 1.85 1.85 ! 0.8778 1163:20 Ambig 2.21, 2.46 A or (resid 30 and name HN) (resid 29 and name HB1) ! 0.1104 1163:20 ----- 3.12, 3.34 A assign (resid 70 and name HD*) (resid 70 and name HB1) 3.65 1.85 1.85 ! 0.9950 1164:20 Intra 2.48, 3.05 A assign (resid 6 and name HD*) (resid 6 and name HB1) 2.65 0.85 0.85 ! 0.9994 1165:20 Intra 2.32, 3.05 A assign (resid 129 and name HD*) (resid 129 and name HB*) 2.65 0.85 0.85 ! 0.0000 1166:20 Intra 2.26, 3.04 A assign (resid 68 and name HD*) (resid 68 and name HB1) 3.15 1.35 1.35 ! 0.0000 1167:20 Intra 2.51, 3.06 A assign (resid 68 and name HD*) (resid 68 and name HB2) 3.15 1.35 1.35 ! 0.0000 1168:20 Intra 2.30, 3.01 A assign (resid 70 and name HE*) (resid 68 and name HB2) 3.65 1.85 1.85 ! 0.9604 1169:20 Mid 2.58, 4.18 A assign (resid 40 and name HD*) (resid 38 and name HB2) 3.15 1.35 1.35 ! 0.9212 1170:20 Mid 2.70, 5.45 A assign (resid 68 and name HE*) (resid 87 and name HB2) 3.65 1.85 1.85 ! 0.9391 1171:20 Long 4.50, 6.87 A assign (resid 49 and name HN) (resid 48 and name HG1) 3.65 1.85 1.85 ! 0.0000 1172:20 Seq 4.21, 4.34 A assign (resid 86 and name HD1) (resid 84 and name HG*) 3.65 1.85 1.85 ! 0.9786 1173:20 Mid 2.88, 4.45 A assign (resid 88 and name HN) (resid 84 and name HG*) 4.15 2.35 2.35 ! 0.0000 1174:20 Mid 6.18, 7.06 A assign (resid 48 and name HN) (resid 48 and name HG1) 3.65 1.85 1.85 ! 0.9924 1175:20 Intra 2.16, 2.33 A assign (resid 25 and name HN) (resid 24 and name HB) 3.15 1.35 1.35 ! 0.9996 1176:20 Seq 2.51, 2.60 A assign (resid 24 and name HN) (resid 24 and name HB) 3.15 1.35 1.35 ! 0.9835 1177:20 Intra 2.33, 2.45 A assign (resid 63 and name HN) (resid 24 and name HB) 4.15 2.35 2.35 ! 0.8029 1178:20 Ambig 4.73, 4.98 A or (resid 61 and name HZ3) (resid 24 and name HB) ! 0.1019 1178:20 ----- 6.67, 6.93 A assign (resid 86 and name HN) (resid 84 and name HG*) 3.65 1.85 1.85 ! 0.0000 1179:20 Mid 4.51, 5.09 A assign (resid 108 and name HN) (resid 103 and name HB) 4.15 2.35 2.35 ! 0.0000 1180:20 Long 4.03, 4.33 A assign (resid 80 and name HD*) (resid 71 and name HB) 3.15 1.35 1.35 ! 0.9941 1181:20 Long 2.16, 3.81 A assign (resid 56 and name HN) (resid 56 and name HB) 3.15 1.35 1.35 ! 0.9911 1182:20 Intra 2.72, 2.78 A assign (resid 14 and name HD*) (resid 13 and name HB) 4.15 2.35 2.35 ! 0.9987 1184:20 Seq 2.28, 4.30 A assign (resid 79 and name HD*) (resid 70 and name HB1) 3.15 1.35 1.35 ! 0.9980 1185:20 Long 2.04, 3.81 A assign (resid 115 and name HE*) (resid 115 and name HB2) 3.65 1.85 1.85 ! 0.8048 1186:20 Ambig 4.59, 5.03 A or (resid 68 and name HZ) (resid 115 and name HB2) ! 0.1076 1186:20 ----- 6.41, 6.66 A assign (resid 115 and name HE*) (resid 115 and name HB1) 3.65 1.85 1.85 ! 0.8062 1187:20 Ambig 4.74, 5.07 A or (resid 68 and name HZ) (resid 115 and name HB1) ! 0.1556 1187:20 ----- 6.24, 6.58 A assign (resid 79 and name HE*) (resid 105 and name HB*) 2.65 0.85 0.85 ! 0.0000 1188:20 Long 2.00, 4.90 A assign (resid 79 and name HD*) (resid 105 and name HB*) 3.65 1.85 1.85 ! 0.0000 1189:20 Long 3.43, 5.92 A assign (resid 61 and name HD1) (resid 24 and name HB) 3.65 1.85 1.85 ! 0.0000 1190:20 Long 3.93, 4.26 A assign (resid 61 and name HD1) (resid 56 and name HB) 3.65 1.85 1.85 ! 0.0000 1191:20 Long 5.07, 5.29 A assign (resid 70 and name HA) (resid 71 and name HB) 3.65 1.85 1.85 ! 0.9789 1193:20 Seq 4.61, 4.72 A assign (resid 40 and name HA) (resid 40 and name HB1) 2.65 0.85 0.85 ! 0.9992 1194:20 Intra 2.59, 2.62 A assign (resid 121 and name HA) (resid 70 and name HB1) 3.65 1.85 1.85 ! 0.0000 1195:20 Long 4.19, 4.32 A assign (resid 121 and name HA) (resid 70 and name HB2) 3.65 1.85 1.85 ! 0.9992 1196:20 Long 2.69, 2.84 A assign (resid 22 and name HA) (resid 26 and name HB1) 3.15 1.35 1.35 ! 0.6105 1197:20 Ambig 3.72, 3.91 A or (resid 69 and name HA) (resid 70 and name HB2) ! 0.1870 1197:20 ----- 4.53, 4.59 A or (resid 71 and name HA) (resid 70 and name HB2) ! 0.1139 1197:20 ----- 4.92, 4.99 A assign (resid 80 and name HA) (resid 101 and name HB2) 3.65 1.85 1.85 ! 0.5781 1199:20 Ambig 3.84, 4.57 A or (resid 102 and name HA) (resid 101 and name HB2) ! 0.4219 1199:20 ----- 4.04, 4.57 A assign (resid 115 and name HA) (resid 115 and name HB1) 3.15 1.35 1.35 ! 0.9998 1202:20 Intra 2.36, 2.39 A assign (resid 115 and name HA) (resid 115 and name HB2) 3.65 1.85 1.85 ! 0.9988 1203:20 Intra 3.02, 3.03 A assign (resid 115 and name HA) (resid 48 and name HG1) 3.65 1.85 1.85 ! 0.0000 1204:20 Long 3.66, 4.42 A assign (resid 115 and name HA) (resid 48 and name HG2) 3.65 1.85 1.85 ! 0.0000 1205:20 Long 3.28, 3.61 A assign (resid 80 and name HA) (resid 71 and name HB) 3.65 1.85 1.85 ! 0.6844 1206:20 Ambig 4.60, 4.73 A or (resid 102 and name HA) (resid 103 and name HB) ! 0.2101 1206:20 ----- 5.60, 5.66 A or (resid 102 and name HA) (resid 71 and name HB) ! 0.0629 1206:20 ----- 6.85, 7.10 A assign (resid 71 and name HA) (resid 71 and name HB) 3.15 1.35 1.35 ! 0.8855 1207:20 Ambig 3.02, 3.04 A or (resid 79 and name HA) (resid 71 and name HB) ! 0.0872 1207:20 ----- 4.45, 4.73 A assign (resid 121 and name HA) (resid 121 and name HB) 3.65 1.85 1.85 ! 0.0000 1208:20 Intra 3.03, 3.04 A assign (resid 71 and name HA) (resid 122 and name HB) 2.65 0.85 0.85 ! 0.7595 1209:20 Ambig 2.00, 2.44 A or (resid 56 and name HA) (resid 56 and name HB) ! 0.2384 1209:20 ----- 2.42, 2.45 A assign (resid 14 and name HA) (resid 13 and name HB) 4.15 2.35 2.35 ! 0.9809 1210:20 Seq 4.17, 4.32 A assign (resid 15 and name HA) (resid 14 and name HB2) 4.15 2.35 2.35 ! 0.7800 1211:20 Ambig 4.65, 4.84 A or (resid 37 and name HA) (resid 14 and name HB2) ! 0.1081 1211:20 ----- 6.46, 7.72 A or (resid 19 and name HA) (resid 14 and name HB2) ! 0.0802 1211:20 ----- 6.79, 8.10 A assign (resid 11 and name HA) (resid 14 and name HB2) 3.65 1.85 1.85 ! 0.9869 1212:20 Mid 2.10, 3.06 A assign (resid 38 and name HA) (resid 38 and name HB1) 2.65 0.85 0.85 ! 0.5334 1213:20 Ambig 2.41, 2.49 A or (resid 87 and name HA) (resid 87 and name HB1) ! 0.4075 1213:20 ----- 2.52, 2.57 A assign (resid 15 and name HA) (resid 38 and name HB1) 3.15 1.35 1.35 ! 0.5365 1214:20 Ambig 2.92, 3.40 A or (resid 83 and name HA1) (resid 87 and name HB1) ! 0.4339 1214:20 ----- 3.03, 3.31 A assign (resid 26 and name HA) (resid 29 and name HB1) 2.65 0.85 0.85 ! 0.7586 1216:20 Ambig 2.07, 2.40 A or (resid 26 and name HA) (resid 26 and name HB1) ! 0.2144 1216:20 ----- 2.55, 2.60 A assign (resid 26 and name HA) (resid 29 and name HB2) 2.65 0.85 0.85 ! 0.9897 1217:20 Mid 2.78, 3.17 A assign (resid 6 and name HA) (resid 6 and name HB1) 2.65 0.85 0.85 ! 0.9477 1218:20 Intra 2.44, 2.51 A assign (resid 129 and name HA) (resid 129 and name HB*) 2.65 0.85 0.85 ! 0.9702 1219:20 Intra 2.41, 2.71 A assign (resid 48 and name HA) (resid 115 and name HB1) 3.65 1.85 1.85 ! 0.5796 1220:20 Ambig 4.98, 5.32 A or (resid 111 and name HA) (resid 115 and name HB1) ! 0.2127 1220:20 ----- 5.89, 6.10 A or (resid 116 and name HB) (resid 115 and name HB1) ! 0.1619 1220:20 ----- 6.16, 6.29 A assign (resid 105 and name HA) (resid 105 and name HB*) 2.65 0.85 0.85 ! 0.0000 1221:20 Intra 2.40, 2.69 A assign (resid 39 and name HA) (resid 39 and name HB1) 2.30 0.50 0.50 ! 0.0000 1222:20 Intra 2.48, 2.59 A assign (resid 39 and name HA) (resid 39 and name HB2) 2.65 0.85 0.85 ! 0.0000 1223:20 Intra 2.96, 2.99 A assign (resid 26 and name HA) (resid 26 and name HB2) 3.15 1.35 1.35 ! 0.9006 1224:20 Intra 2.97, 2.98 A assign (resid 47 and name HA) (resid 47 and name HB2) 2.65 0.85 0.85 ! 0.0000 1225:20 Intra 3.00, 3.02 A assign (resid 47 and name HA) (resid 47 and name HB1) 2.65 0.85 0.85 ! 0.0000 1226:20 Intra 2.44, 2.50 A assign (resid 15 and name HA) (resid 37 and name HB1) 2.65 0.85 0.85 ! 0.8592 1227:20 Ambig 1.87, 2.77 A or (resid 37 and name HA) (resid 37 and name HB1) ! 0.1362 1227:20 ----- 2.54, 2.72 A assign (resid 15 and name HA) (resid 37 and name HB2) 2.65 0.85 0.85 ! 0.7588 1228:20 Ambig 1.87, 2.76 A or (resid 37 and name HA) (resid 37 and name HB2) ! 0.1765 1228:20 ----- 2.38, 2.82 A assign (resid 38 and name HA) (resid 38 and name HB2) 2.65 0.85 0.85 ! 0.7807 1229:20 Ambig 2.39, 2.44 A or (resid 87 and name HA) (resid 87 and name HB2) ! 0.2002 1229:20 ----- 3.00, 3.02 A assign (resid 84 and name HA) (resid 84 and name HG*) 2.65 0.85 0.85 ! 0.9471 1230:20 Intra 2.39, 3.02 A assign (resid 48 and name HA) (resid 48 and name HG1) 3.15 1.35 1.35 ! 0.6947 1231:20 Ambig 3.17, 3.25 A or (resid 116 and name HB) (resid 48 and name HG1) ! 0.2323 1231:20 ----- 3.81, 5.38 A assign (resid 61 and name HA) (resid 24 and name HB) 3.15 1.35 1.35 ! 0.0000 1232:20 Long 1.92, 2.03 A assign (resid 103 and name HA) (resid 103 and name HB) 2.65 0.85 0.85 ! 0.9946 1233:20 Intra 2.51, 2.53 A assign (resid 92 and name HB1) (resid 99 and name HB) 2.65 0.85 0.85 ! 0.5782 1234:20 Ambig 2.85, 4.07 A or (resid 99 and name HA) (resid 99 and name HB) ! 0.4196 1234:20 ----- 3.00, 3.04 A assign (resid 122 and name HA) (resid 122 and name HB) 3.15 1.35 1.35 ! 0.9217 1235:20 Intra 3.01, 3.02 A assign (resid 92 and name HA) (resid 99 and name HB) 3.15 1.35 1.35 ! 0.0000 1236:20 Long 3.89, 4.29 A assign (resid 10 and name HA) (resid 13 and name HB) 3.65 1.85 1.85 ! 0.0000 1237:20 Mid 2.31, 3.18 A assign (resid 5 and name HA) (resid 5 and name HB) 2.30 0.50 0.50 ! 0.4892 1238:20 Ambig 3.01, 3.04 A or (resid 76 and name HA) (resid 76 and name HB) ! 0.4786 1238:20 ----- 3.03, 3.05 A assign (resid 90 and name HA) (resid 93 and name HB) 3.15 1.35 1.35 ! 0.8598 1239:20 Ambig 2.95, 3.11 A or (resid 57 and name HD1) (resid 93 and name HB) ! 0.0751 1239:20 ----- 4.43, 4.69 A assign (resid 66 and name HA) (resid 66 and name HB) 3.15 1.35 1.35 ! 0.9997 1240:20 Intra 2.50, 2.52 A assign (resid 118 and name HA) (resid 66 and name HB) 3.65 1.85 1.85 ! 0.9140 1241:20 Long 3.59, 3.72 A assign (resid 67 and name HA) (resid 66 and name HB) 3.15 1.35 1.35 ! 0.9996 1242:20 Seq 1.98, 2.03 A assign (resid 32 and name HA) (resid 44 and name HB) 3.15 1.35 1.35 ! 0.9980 1243:20 Long 1.99, 2.21 A assign (resid 15 and name HB*) (resid 14 and name HB2) 4.15 2.35 2.35 ! 0.3869 1245:20 Ambig 5.57, 6.38 A or (resid 13 and name HA) (resid 14 and name HB2) ! 0.3277 1245:20 ----- 5.72, 5.79 A or (resid 16 and name HB1) (resid 40 and name HB1) ! 0.2064 1245:20 ----- 6.18, 7.12 A assign (resid 17 and name HB*) (resid 14 and name HB2) 3.65 1.85 1.85 ! 0.9467 1246:20 Mid 3.76, 5.08 A assign (resid 77 and name HA2) (resid 105 and name HB*) 2.65 0.85 0.85 ! 0.9968 1251:20 Long 2.50, 3.59 A assign (resid 15 and name HB*) (resid 38 and name HB1) 3.15 1.35 1.35 ! 0.9940 1252:20 Long 1.85, 2.79 A assign (resid 15 and name HB*) (resid 38 and name HB2) 2.65 0.85 0.85 ! 0.7982 1253:20 Ambig 3.33, 4.22 A or (resid 85 and name HA) (resid 87 and name HB2) ! 0.1046 1253:20 ----- 4.67, 4.89 A assign (resid 25 and name HA) (resid 24 and name HB) 3.65 1.85 1.85 ! 0.9337 1255:20 Seq 4.14, 4.28 A assign (resid 61 and name HB1) (resid 24 and name HB) 3.65 1.85 1.85 ! 0.9975 1256:20 Long 2.49, 2.69 A assign (resid 24 and name HA) (resid 24 and name HB) 3.65 1.85 1.85 ! 0.9976 1257:20 Intra 3.02, 3.03 A assign (resid 57 and name HD2) (resid 56 and name HB) 3.15 1.35 1.35 ! 0.6893 1258:20 Ambig 3.72, 3.76 A or (resid 53 and name HA) (resid 56 and name HB) ! 0.2863 1258:20 ----- 4.31, 4.42 A assign (resid 82 and name HB1) (resid 69 and name HB) 2.65 0.85 0.85 ! 0.9918 1259:20 Long 1.96, 2.68 A assign (resid 13 and name HA) (resid 13 and name HB) 2.65 0.85 0.85 ! 0.9659 1260:20 Intra 3.03, 3.04 A assign (resid 93 and name HA) (resid 93 and name HB) 3.65 1.85 1.85 ! 0.0000 1261:20 Intra 3.03, 3.04 A assign (resid 61 and name HB2) (resid 24 and name HB) 3.15 1.35 1.35 ! 0.5478 1270:20 Ambig 3.95, 4.10 A or (resid 53 and name HB1) (resid 24 and name HB) ! 0.3517 1270:20 ----- 4.26, 4.52 A or (resid 25 and name HE*) (resid 24 and name HB) ! 0.0926 1270:20 ----- 5.32, 7.62 A assign (resid 107 and name HB1) (resid 103 and name HB) 3.65 1.85 1.85 ! 0.9307 1271:20 Mid 2.69, 2.88 A assign (resid 107 and name HB2) (resid 103 and name HB) 3.15 1.35 1.35 ! 0.0000 1272:20 Mid 2.03, 2.23 A assign (resid 36 and name HB1) (resid 40 and name HB1) 3.65 1.85 1.85 ! 0.7518 1273:20 Ambig 5.42, 5.58 A or (resid 36 and name HB1) (resid 14 and name HB2) ! 0.0859 1273:20 ----- 7.78, 8.62 A or (resid 43 and name HG1) (resid 40 and name HB1) ! 0.0845 1273:20 ----- 7.80, 8.52 A assign (resid 22 and name HB) (resid 26 and name HB1) 3.15 1.35 1.35 ! 0.9995 1274:20 Mid 2.03, 2.13 A assign (resid 81 and name HB) (resid 101 and name HB2) 4.15 2.35 2.35 ! 0.8352 1275:20 Ambig 5.65, 5.74 A or (resid 99 and name HB) (resid 101 and name HB2) ! 0.1648 1275:20 ----- 7.41, 7.91 A assign (resid 36 and name HB1) (resid 40 and name HB2) 3.15 1.35 1.35 ! 0.9922 1276:20 Mid 4.10, 4.29 A assign (resid 118 and name HB1) (resid 115 and name HB1) 3.65 1.85 1.85 ! 0.8340 1277:20 Ambig 3.60, 3.68 A or (resid 114 and name HG1) (resid 115 and name HB1) ! 0.1172 1277:20 ----- 4.99, 5.20 A assign (resid 118 and name HB1) (resid 115 and name HB2) 3.15 1.35 1.35 ! 0.5173 1278:20 Ambig 4.35, 4.53 A or (resid 114 and name HG1) (resid 115 and name HB2) ! 0.3738 1278:20 ----- 4.59, 4.99 A or (resid 111 and name HG) (resid 115 and name HB2) ! 0.0461 1278:20 ----- 6.51, 6.75 A assign (resid 118 and name HB2) (resid 115 and name HB2) 3.65 1.85 1.85 ! 0.9768 1279:20 Mid 2.77, 2.92 A assign (resid 22 and name HB) (resid 26 and name HB2) 3.15 1.35 1.35 ! 0.9998 1280:20 Mid 1.91, 2.00 A assign (resid 31 and name HB1) (resid 26 and name HB2) 3.15 1.35 1.35 ! 0.5634 1281:20 Ambig 4.21, 4.48 A or (resid 25 and name HB1) (resid 26 and name HB2) ! 0.4366 1281:20 ----- 4.40, 5.06 A assign (resid 45 and name HB1) (resid 47 and name HB2) 3.15 1.35 1.35 ! 0.9794 1282:20 Mid 2.67, 2.98 A assign (resid 45 and name HB1) (resid 47 and name HB1) 3.15 1.35 1.35 ! 0.4185 1283:20 Ambig 4.35, 4.69 A or (resid 50 and name HB*) (resid 47 and name HB1) ! 0.4173 1283:20 ----- 4.36, 5.58 A or (resid 51 and name HB*) (resid 47 and name HB1) ! 0.1642 1283:20 ----- 5.09, 6.38 A assign (resid 88 and name HB2) (resid 87 and name HB2) 3.65 1.85 1.85 ! 0.5298 1284:20 Ambig 4.65, 4.78 A or (resid 88 and name HB1) (resid 87 and name HB2) ! 0.1896 1284:20 ----- 5.52, 5.66 A or (resid 81 and name HB) (resid 87 and name HB2) ! 0.1222 1284:20 ----- 5.94, 6.35 A or (resid 91 and name HB) (resid 87 and name HB2) ! 0.0646 1284:20 ----- 6.61, 6.89 A assign (resid 84 and name HB*) (resid 84 and name HG*) 2.30 0.50 0.50 ! 0.0000 1286:20 Intra 2.31, 2.66 A assign (resid 118 and name HB1) (resid 66 and name HB) 3.15 1.35 1.35 ! 0.8362 1287:20 Ambig 2.99, 3.19 A or (resid 67 and name HB1) (resid 66 and name HB) ! 0.1577 1287:20 ----- 3.94, 4.05 A assign (resid 32 and name HB1) (resid 44 and name HB) 3.65 1.85 1.85 ! 0.9964 1288:20 Long 2.46, 2.74 A assign (resid 10 and name HB1) (resid 14 and name HB2) 3.65 1.85 1.85 ! 0.5663 1289:20 Ambig 2.99, 4.43 A or (resid 11 and name HD*) (resid 14 and name HB2) ! 0.2053 1289:20 ----- 3.54, 6.60 A or (resid 10 and name HB2) (resid 14 and name HB2) ! 0.1084 1289:20 ----- 3.94, 4.77 A or (resid 36 and name HG) (resid 40 and name HB1) ! 0.0924 1289:20 ----- 4.05, 4.23 A assign (resid 36 and name HD1*) (resid 40 and name HB1) 3.15 1.35 1.35 ! 0.9765 1290:20 Mid 2.63, 3.81 A assign (resid 88 and name HG2) (resid 87 and name HB1) 3.65 1.85 1.85 ! 0.4186 1291:20 Ambig 4.45, 4.89 A or (resid 91 and name HG11) (resid 87 and name HB1) ! 0.4131 1291:20 ----- 4.46, 4.83 A or (resid 65 and name HB2) (resid 87 and name HB1) ! 0.1173 1291:20 ----- 5.50, 6.30 A assign (resid 121 and name HG2*) (resid 70 and name HB1) 3.15 1.35 1.35 ! 0.5874 1292:20 Ambig 4.13, 5.38 A or (resid 103 and name HG12) (resid 70 and name HB1) ! 0.1968 1292:20 ----- 4.95, 5.22 A or (resid 71 and name HG12) (resid 70 and name HB1) ! 0.1226 1292:20 ----- 5.36, 5.52 A assign (resid 31 and name HB2) (resid 26 and name HB1) 3.15 1.35 1.35 ! 0.9398 1293:20 Long 1.93, 2.07 A assign (resid 36 and name HG) (resid 40 and name HB2) 3.15 1.35 1.35 ! 0.0000 1294:20 Mid 3.55, 3.89 A assign (resid 36 and name HB2) (resid 40 and name HB2) 3.65 1.85 1.85 ! 0.9989 1295:20 Mid 2.83, 2.99 A assign (resid 36 and name HD1*) (resid 40 and name HB2) 3.15 1.35 1.35 ! 0.9998 1296:20 Mid 1.99, 3.26 A assign (resid 130 and name HG2*) (resid 129 and name HB*) 3.65 1.85 1.85 ! 0.9764 1297:20 Seq 4.04, 6.43 A assign (resid 106 and name HG1*) (resid 105 and name HB*) 3.65 1.85 1.85 ! 0.4103 1298:20 Ambig 4.30, 6.25 A or (resid 104 and name HD1*) (resid 105 and name HB*) ! 0.3690 1298:20 ----- 4.38, 7.07 A or (resid 72 and name HG2) (resid 105 and name HB*) ! 0.1317 1298:20 ----- 5.20, 6.80 A assign (resid 31 and name HD*) (resid 26 and name HB2) 3.65 1.85 1.85 ! 0.7874 1299:20 Ambig 3.60, 6.40 A or (resid 25 and name HB2) (resid 26 and name HB2) ! 0.2028 1299:20 ----- 4.52, 5.50 A assign (resid 31 and name HB2) (resid 26 and name HB2) 3.15 1.35 1.35 ! 0.8982 1300:20 Ambig 3.38, 3.57 A or (resid 25 and name HG*) (resid 26 and name HB2) ! 0.0530 1300:20 ----- 5.43, 6.79 A assign (resid 51 and name HD*) (resid 47 and name HB1) 3.15 1.35 1.35 ! 0.6551 1301:20 Ambig 3.92, 5.69 A or (resid 51 and name HG*) (resid 47 and name HB1) ! 0.3097 1301:20 ----- 4.44, 5.62 A assign (resid 51 and name HD*) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.5291 1302:20 Ambig 4.58, 6.43 A or (resid 51 and name HG*) (resid 47 and name HB2) ! 0.2991 1302:20 ----- 5.04, 6.23 A or (resid 45 and name HD*) (resid 47 and name HB2) ! 0.0898 1302:20 ----- 6.16, 6.59 A assign (resid 45 and name HG*) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.9005 1303:20 Mid 3.99, 4.54 A assign (resid 19 and name HB*) (resid 37 and name HB1) 3.15 1.35 1.35 ! 0.5274 1304:20 Ambig 3.66, 5.22 A or (resid 81 and name HG1*) (resid 87 and name HB2) ! 0.4055 1304:20 ----- 3.83, 4.85 A assign (resid 11 and name HD*) (resid 38 and name HB2) 3.65 1.85 1.85 ! 0.3977 1305:20 Ambig 5.01, 9.78 A or (resid 90 and name HB*) (resid 87 and name HB2) ! 0.3019 1305:20 ----- 5.25, 6.18 A or (resid 88 and name HD1) (resid 87 and name HB2) ! 0.1605 1305:20 ----- 5.83, 6.13 A or (resid 85 and name HG1) (resid 87 and name HB2) ! 0.0665 1305:20 ----- 6.76, 7.03 A assign (resid 88 and name HG1) (resid 87 and name HB2) 4.15 2.35 2.35 ! 0.9559 1306:20 Seq 2.86, 3.12 A assign (resid 45 and name HB2) (resid 48 and name HG1) 3.15 1.35 1.35 ! 0.9807 1307:20 Mid 2.51, 2.77 A assign (resid 24 and name HG11) (resid 24 and name HB) 3.15 1.35 1.35 ! 0.9178 1308:20 Intra 2.45, 2.47 A assign (resid 99 and name HG1*) (resid 99 and name HB) 2.65 0.85 0.85 ! 0.9321 1309:20 Intra 2.46, 2.76 A assign (resid 121 and name HG2*) (resid 121 and name HB) 2.65 0.85 0.85 ! 0.9997 1310:20 Intra 2.41, 2.64 A assign (resid 8 and name HG11) (resid 8 and name HB) 2.30 0.50 0.50 ! 0.2663 1311:20 Ambig 2.38, 2.48 A or (resid 5 and name HG11) (resid 5 and name HB) ! 0.2502 1311:20 ----- 2.41, 2.47 A or (resid 76 and name HG11) (resid 76 and name HB) ! 0.2283 1311:20 ----- 2.44, 2.75 A or (resid 2 and name HG11) (resid 2 and name HB) ! 0.2267 1311:20 ----- 2.45, 2.56 A assign (resid 76 and name HG12) (resid 76 and name HB) 2.30 0.50 0.50 ! 0.3391 1313:20 Ambig 2.40, 2.52 A or (resid 5 and name HG12) (resid 5 and name HB) ! 0.3351 1313:20 ----- 2.41, 2.57 A or (resid 2 and name HG12) (resid 2 and name HB) ! 0.3069 1313:20 ----- 2.44, 2.85 A assign (resid 13 and name HG11) (resid 13 and name HB) 3.15 1.35 1.35 ! 0.9982 1314:20 Intra 2.44, 2.53 A assign (resid 93 and name HG2*) (resid 93 and name HB) 2.65 0.85 0.85 ! 0.9977 1316:20 Intra 2.44, 2.65 A assign (resid 66 and name HG11) (resid 66 and name HB) 3.15 1.35 1.35 ! 0.9835 1317:20 Intra 2.47, 2.48 A assign (resid 32 and name HB2) (resid 44 and name HB) 3.15 1.35 1.35 ! 0.5379 1318:20 Ambig 3.95, 4.19 A or (resid 27 and name HB*) (resid 44 and name HB) ! 0.4254 1318:20 ----- 4.10, 4.97 A assign (resid 81 and name HG1*) (resid 87 and name HB1) 3.15 1.35 1.35 ! 0.9904 1319:20 Long 3.44, 4.26 A assign (resid 91 and name HD1*) (resid 87 and name HB1) 3.65 1.85 1.85 ! 0.0000 1320:20 Mid 4.65, 5.64 A assign (resid 108 and name HG1*) (resid 70 and name HB1) 3.65 1.85 1.85 ! 0.8719 1321:20 Ambig 3.92, 4.91 A or (resid 119 and name HG2*) (resid 70 and name HB1) ! 0.1281 1321:20 ----- 5.40, 5.88 A assign (resid 22 and name HG1*) (resid 26 and name HB1) 2.30 0.50 0.50 ! 0.6479 1322:20 Ambig 3.04, 3.81 A or (resid 22 and name HG2*) (resid 26 and name HB1) ! 0.1872 1322:20 ----- 3.74, 4.41 A or (resid 121 and name HD1*) (resid 70 and name HB2) ! 0.0686 1322:20 ----- 4.43, 4.91 A assign (resid 36 and name HD2*) (resid 40 and name HB2) 3.65 1.85 1.85 ! 0.0000 1323:20 Mid 5.45, 5.83 A assign (resid 104 and name HD2*) (resid 105 and name HB*) 3.65 1.85 1.85 ! 0.5874 1324:20 Ambig 5.10, 6.67 A or (resid 76 and name HG2*) (resid 105 and name HB*) ! 0.3666 1324:20 ----- 5.51, 7.38 A assign (resid 118 and name HD1*) (resid 115 and name HB1) 2.65 0.85 0.85 ! 0.9730 1325:20 Mid 2.04, 3.00 A assign (resid 119 and name HD1*) (resid 115 and name HB2) 2.65 0.85 0.85 ! 0.7174 1326:20 Ambig 2.65, 3.56 A or (resid 118 and name HD1*) (resid 115 and name HB2) ! 0.2334 1326:20 ----- 3.20, 4.43 A assign (resid 52 and name HD2*) (resid 115 and name HB1) 3.65 1.85 1.85 ! 0.4374 1327:20 Ambig 4.59, 5.80 A or (resid 52 and name HD1*) (resid 115 and name HB1) ! 0.4100 1327:20 ----- 4.64, 6.01 A or (resid 94 and name HD1*) (resid 115 and name HB1) ! 0.0600 1327:20 ----- 6.39, 7.15 A assign (resid 52 and name HD1*) (resid 115 and name HB2) 4.15 2.35 2.35 ! 0.4081 1328:20 Ambig 4.90, 6.32 A or (resid 52 and name HD2*) (resid 115 and name HB2) ! 0.2093 1328:20 ----- 5.48, 6.74 A or (resid 119 and name HG2*) (resid 115 and name HB2) ! 0.1662 1328:20 ----- 5.70, 6.39 A or (resid 94 and name HD1*) (resid 115 and name HB2) ! 0.1631 1328:20 ----- 5.71, 6.63 A assign (resid 119 and name HG2*) (resid 68 and name HB1) 3.65 1.85 1.85 ! 0.8662 1329:20 Ambig 4.19, 5.47 A or (resid 108 and name HG1*) (resid 68 and name HB1) ! 0.0450 1329:20 ----- 6.85, 8.14 A assign (resid 119 and name HG2*) (resid 68 and name HB2) 3.65 1.85 1.85 ! 0.9638 1330:20 Long 3.16, 4.36 A assign (resid 22 and name HG2*) (resid 26 and name HB2) 3.15 1.35 1.35 ! 0.6373 1331:20 Ambig 3.33, 4.07 A or (resid 22 and name HG1*) (resid 26 and name HB2) ! 0.3033 1331:20 ----- 3.77, 4.41 A assign (resid 91 and name HD1*) (resid 87 and name HB2) 3.65 1.85 1.85 ! 0.7087 1332:20 Ambig 6.29, 7.15 A or (resid 66 and name HG2*) (resid 87 and name HB2) ! 0.2913 1332:20 ----- 7.30, 8.18 A assign (resid 118 and name HD2*) (resid 48 and name HG1) 3.15 1.35 1.35 ! 0.6292 1333:20 Ambig 4.06, 5.62 A or (resid 118 and name HD1*) (resid 48 and name HG1) ! 0.2263 1333:20 ----- 4.81, 6.14 A or (resid 49 and name HG2*) (resid 48 and name HG1) ! 0.1445 1333:20 ----- 5.18, 6.32 A assign (resid 24 and name HD1*) (resid 24 and name HB) 2.65 0.85 0.85 ! 0.9976 1334:20 Intra 2.55, 3.14 A assign (resid 71 and name HG2*) (resid 71 and name HB) 2.30 0.50 0.50 ! 0.8950 1335:20 Ambig 2.39, 2.62 A or (resid 71 and name HD1*) (resid 71 and name HB) ! 0.0593 1335:20 ----- 3.75, 3.95 A assign (resid 103 and name HG2*) (resid 103 and name HB) 2.65 0.85 0.85 ! 0.5475 1336:20 Ambig 2.37, 2.61 A or (resid 103 and name HG11) (resid 103 and name HB) ! 0.4520 1336:20 ----- 2.45, 2.48 A assign (resid 99 and name HG2*) (resid 99 and name HB) 2.30 0.50 0.50 ! 0.3944 1337:20 Ambig 2.42, 2.64 A or (resid 99 and name HD1*) (resid 99 and name HB) ! 0.3197 1337:20 ----- 2.51, 3.14 A or (resid 8 and name HD1*) (resid 8 and name HB) ! 0.2858 1337:20 ----- 2.56, 3.25 A assign (resid 69 and name HG2*) (resid 69 and name HB) 2.30 0.50 0.50 ! 0.5602 1338:20 Ambig 2.36, 2.61 A or (resid 69 and name HD1*) (resid 69 and name HB) ! 0.4214 1338:20 ----- 2.48, 3.09 A assign (resid 8 and name HG2*) (resid 8 and name HB) 2.30 0.50 0.50 ! 0.0000 1339:20 Intra 2.35, 2.64 A assign (resid 118 and name HD2*) (resid 66 and name HB) 2.65 0.85 0.85 ! 0.5036 1341:20 Ambig 2.84, 4.38 A or (resid 66 and name HG12) (resid 66 and name HB) ! 0.3395 1341:20 ----- 3.03, 3.04 A or (resid 118 and name HD1*) (resid 66 and name HB) ! 0.0898 1341:20 ----- 3.79, 5.04 A assign (resid 66 and name HD1*) (resid 66 and name HB) 3.15 1.35 1.35 ! 0.9992 1342:20 Intra 2.60, 3.17 A assign (resid 44 and name HG2*) (resid 44 and name HB) 2.30 0.50 0.50 ! 0.4403 1343:20 Ambig 2.39, 2.62 A or (resid 44 and name HD1*) (resid 44 and name HB) ! 0.3308 1343:20 ----- 2.51, 3.20 A or (resid 32 and name HD2*) (resid 44 and name HB) ! 0.2174 1343:20 ----- 2.69, 3.41 A assign (resid 108 and name HG2*) (resid 70 and name HB1) 3.65 1.85 1.85 ! 0.0000 1344:20 Long 3.55, 4.38 A assign (resid 108 and name HG2*) (resid 105 and name HB*) 3.65 1.85 1.85 ! 0.0000 1345:20 Mid 5.17, 6.27 A assign (resid 24 and name HG2*) (resid 24 and name HB) 3.15 1.35 1.35 ! 0.0000 1346:20 Intra 2.42, 2.64 A assign (resid 103 and name HD1*) (resid 103 and name HB) 2.65 0.85 0.85 ! 0.0000 1347:20 Intra 2.56, 3.15 A assign (resid 66 and name HG2*) (resid 66 and name HB) 3.15 1.35 1.35 ! 0.9994 1348:20 Intra 2.41, 2.62 A assign (resid 66 and name HN) (resid 65 and name HB1) 3.65 1.85 1.85 ! 0.0000 1349:20 Seq 3.45, 3.56 A assign (resid 66 and name HN) (resid 65 and name HB2) 3.65 1.85 1.85 ! 0.0000 1350:20 Seq 4.23, 4.34 A assign (resid 50 and name HN) (resid 50 and name HG2) 2.65 0.85 0.85 ! 0.9719 1352:20 Intra 3.27, 3.36 A assign (resid 50 and name HN) (resid 50 and name HG1) 2.65 0.85 0.85 ! 0.9214 1353:20 Intra 2.06, 2.20 A assign (resid 44 and name HN) (resid 43 and name HG2) 3.65 1.85 1.85 ! 0.9993 1354:20 Seq 2.33, 3.89 A assign (resid 103 and name HN) (resid 102 and name HB) 3.15 1.35 1.35 ! 0.8533 1355:20 Ambig 2.24, 2.57 A or (resid 79 and name HN) (resid 102 and name HB) ! 0.1465 1355:20 ----- 3.01, 3.32 A assign (resid 34 and name HN) (resid 43 and name HG2) 3.65 1.85 1.85 ! 0.0000 1356:20 Long 4.44, 5.17 A assign (resid 68 and name HN) (resid 67 and name HB2) 3.15 1.35 1.35 ! 0.7334 1358:20 Ambig 3.03, 3.10 A or (resid 120 and name HN) (resid 67 and name HB2) ! 0.2648 1358:20 ----- 3.59, 3.86 A assign (resid 79 and name HN) (resid 78 and name HG2) 3.65 1.85 1.85 ! 0.7761 1359:20 Ambig 3.98, 4.17 A or (resid 103 and name HN) (resid 78 and name HG2) ! 0.1911 1359:20 ----- 5.03, 5.48 A assign (resid 72 and name HN) (resid 72 and name HB1) 4.15 2.35 2.35 ! 0.9839 1360:20 Intra 2.53, 2.67 A assign (resid 34 and name HN) (resid 33 and name HB*) 3.15 1.35 1.35 ! 0.0000 1361:20 Seq 4.08, 4.29 A assign (resid 109 and name HN) (resid 109 and name HG1) 3.65 1.85 1.85 ! 0.5609 1362:20 Ambig 2.05, 2.54 A or (resid 132 and name HN) (resid 131 and name HG1) ! 0.4091 1362:20 ----- 2.16, 4.15 A assign (resid 92 and name HN) (resid 91 and name HB) 3.15 1.35 1.35 ! 0.9979 1363:20 Seq 2.63, 2.69 A assign (resid 91 and name HN) (resid 91 and name HB) 2.65 0.85 0.85 ! 0.9982 1364:20 Intra 2.55, 2.62 A assign (resid 43 and name HN) (resid 43 and name HG2) 4.15 2.35 2.35 ! 0.9615 1365:20 Intra 3.37, 3.75 A assign (resid 65 and name HN) (resid 64 and name HB) 3.65 1.85 1.85 ! 0.0000 1366:20 Seq 4.12, 4.23 A assign (resid 11 and name HN) (resid 11 and name HB*) 4.15 2.35 2.35 ! 0.9811 1367:20 Intra 2.35, 2.87 A assign (resid 65 and name HN) (resid 65 and name HB1) 3.65 1.85 1.85 ! 0.9341 1368:20 Intra 3.51, 3.58 A assign (resid 65 and name HN) (resid 65 and name HB2) 3.65 1.85 1.85 ! 0.9604 1369:20 Intra 2.24, 2.36 A assign (resid 60 and name HN) (resid 59 and name HB2) 4.15 2.35 2.35 ! 0.9885 1370:20 Seq 2.50, 2.57 A assign (resid 59 and name HD*) (resid 59 and name HB1) 3.15 1.35 1.35 ! 0.0000 1371:20 Intra 2.55, 3.05 A assign (resid 59 and name HD*) (resid 59 and name HB2) 3.15 1.35 1.35 ! 0.0000 1372:20 Intra 2.17, 2.97 A assign (resid 60 and name HN) (resid 57 and name HB1) 3.65 1.85 1.85 ! 0.9763 1373:20 Mid 4.90, 4.99 A assign (resid 59 and name HD*) (resid 57 and name HB1) 3.65 1.85 1.85 ! 0.0000 1374:20 Mid 3.14, 4.93 A assign (resid 49 and name HN) (resid 50 and name HG2) 3.65 1.85 1.85 ! 0.9671 1375:20 Seq 5.36, 5.50 A assign (resid 115 and name HD*) (resid 114 and name HG1) 3.65 1.85 1.85 ! 0.9340 1376:20 Seq 3.47, 3.94 A assign (resid 115 and name HD*) (resid 114 and name HG2) 3.15 1.35 1.35 ! 0.7241 1377:20 Ambig 3.97, 4.74 A or (resid 55 and name HE) (resid 114 and name HG2) ! 0.1375 1377:20 ----- 5.23, 5.79 A or (resid 80 and name HD*) (resid 102 and name HB) ! 0.1079 1377:20 ----- 5.45, 6.05 A assign (resid 120 and name HD*) (resid 67 and name HB2) 3.65 1.85 1.85 ! 0.9991 1378:20 Long 2.02, 4.08 A assign (resid 59 and name HD*) (resid 57 and name HB2) 3.15 1.35 1.35 ! 0.0000 1379:20 Mid 1.96, 3.83 A assign (resid 25 and name HN) (resid 25 and name HB1) 3.15 1.35 1.35 ! 0.9636 1380:20 Intra 2.49, 3.07 A assign (resid 64 and name HN) (resid 64 and name HB) 2.65 0.85 0.85 ! 0.9209 1381:20 Intra 2.42, 2.47 A assign (resid 63 and name HN) (resid 64 and name HB) 3.65 1.85 1.85 ! 0.0000 1382:20 Seq 4.11, 4.22 A assign (resid 60 and name HN) (resid 57 and name HB2) 3.15 1.35 1.35 ! 0.9958 1383:20 Mid 3.18, 3.28 A assign (resid 68 and name HE*) (resid 64 and name HB) 4.15 2.35 2.35 ! 0.9664 1384:20 Mid 4.86, 6.01 A assign (resid 25 and name HN) (resid 25 and name HB2) 3.15 1.35 1.35 ! 0.0000 1385:20 Intra 2.09, 2.35 A assign (resid 24 and name HN) (resid 25 and name HB2) 3.65 1.85 1.85 ! 0.9049 1386:20 Seq 4.12, 4.42 A assign (resid 59 and name HE*) (resid 59 and name HB1) 3.65 1.85 1.85 ! 0.0000 1387:20 Intra 4.72, 5.03 A assign (resid 59 and name HE*) (resid 59 and name HB2) 3.65 1.85 1.85 ! 0.0000 1388:20 Intra 4.48, 4.97 A assign (resid 59 and name HE*) (resid 57 and name HB1) 3.65 1.85 1.85 ! 0.0000 1389:20 Mid 2.81, 4.69 A assign (resid 115 and name HE*) (resid 114 and name HG1) 3.65 1.85 1.85 ! 0.9967 1390:20 Seq 3.18, 3.65 A assign (resid 115 and name HE*) (resid 114 and name HG2) 3.15 1.35 1.35 ! 0.9935 1391:20 Seq 3.07, 3.87 A assign (resid 120 and name HE*) (resid 67 and name HB2) 3.65 1.85 1.85 ! 0.8740 1392:20 Ambig 3.06, 4.97 A or (resid 21 and name HE*) (resid 67 and name HB2) ! 0.1260 1392:20 ----- 4.22, 6.82 A assign (resid 41 and name HD*) (resid 20 and name HG2) 4.15 2.35 2.35 ! 0.6539 1393:20 Ambig 5.32, 7.56 A or (resid 21 and name HD*) (resid 20 and name HG2) ! 0.2884 1393:20 ----- 6.10, 7.18 A assign (resid 79 and name HE*) (resid 72 and name HB1) 3.65 1.85 1.85 ! 0.0000 1394:20 Long 4.12, 5.46 A assign (resid 59 and name HE*) (resid 57 and name HB2) 3.15 1.35 1.35 ! 0.0000 1395:20 Mid 3.04, 4.61 A assign (resid 21 and name HD*) (resid 65 and name HB2) 4.15 2.35 2.35 ! 0.0000 1396:20 Long 3.50, 4.73 A assign (resid 41 and name HD*) (resid 33 and name HB*) 3.15 1.35 1.35 ! 0.0000 1397:20 Long 3.85, 6.23 A assign (resid 79 and name HE*) (resid 72 and name HB2) 3.65 1.85 1.85 ! 0.0000 1398:20 Long 2.46, 4.11 A assign (resid 56 and name HA) (resid 57 and name HB1) 3.65 1.85 1.85 ! 0.0000 1399:20 Seq 5.21, 5.28 A assign (resid 22 and name HA) (resid 22 and name HB) 2.65 0.85 0.85 ! 0.9931 1400:20 Intra 2.45, 2.47 A assign (resid 33 and name HA) (resid 43 and name HG2) 3.65 1.85 1.85 ! 0.9612 1402:20 Long 2.70, 3.53 A assign (resid 78 and name HA) (resid 102 and name HB) 3.65 1.85 1.85 ! 0.7709 1403:20 Ambig 3.82, 4.27 A or (resid 79 and name HA) (resid 102 and name HB) ! 0.1558 1403:20 ----- 4.99, 5.28 A assign (resid 102 and name HA) (resid 102 and name HB) 3.15 1.35 1.35 ! 0.9311 1404:20 Intra 2.48, 2.53 A assign (resid 69 and name HA) (resid 67 and name HB2) 4.15 2.35 2.35 ! 0.5528 1405:20 Ambig 4.72, 5.01 A or (resid 120 and name HA) (resid 67 and name HB2) ! 0.3273 1405:20 ----- 5.15, 5.46 A or (resid 21 and name HA) (resid 67 and name HB2) ! 0.1126 1405:20 ----- 6.15, 6.42 A assign (resid 104 and name HA) (resid 78 and name HG2) 3.65 1.85 1.85 ! 0.9909 1406:20 Long 2.78, 3.26 A assign (resid 78 and name HA) (resid 78 and name HG2) 3.15 1.35 1.35 ! 0.9963 1407:20 Intra 2.47, 2.58 A assign (resid 21 and name HA) (resid 65 and name HB2) 4.15 2.35 2.35 ! 0.5870 1408:20 Ambig 5.91, 6.04 A or (resid 23 and name HB) (resid 65 and name HB2) ! 0.3768 1408:20 ----- 6.37, 6.85 A assign (resid 65 and name HA) (resid 65 and name HB2) 3.65 1.85 1.85 ! 0.0000 1409:20 Intra 2.97, 3.00 A assign (resid 33 and name HA) (resid 33 and name HB*) 2.65 0.85 0.85 ! 0.0000 1410:20 Intra 2.44, 2.76 A assign (resid 59 and name HA) (resid 59 and name HB1) 3.15 1.35 1.35 ! 0.0000 1411:20 Intra 2.33, 2.34 A assign (resid 59 and name HA) (resid 59 and name HB2) 2.65 0.85 0.85 ! 0.0000 1412:20 Intra 2.99, 3.00 A assign (resid 57 and name HA) (resid 57 and name HB1) 2.65 0.85 0.85 ! 0.0000 1413:20 Intra 2.26, 2.26 A assign (resid 57 and name HD1) (resid 57 and name HB1) 3.65 1.85 1.85 ! 0.9931 1414:20 Intra 2.94, 3.07 A assign (resid 43 and name HA) (resid 43 and name HG1) 2.65 0.85 0.85 ! 0.8630 1415:20 Ambig 2.42, 2.99 A or (resid 97 and name HA) (resid 98 and name HG2) ! 0.0501 1415:20 ----- 3.89, 4.93 A assign (resid 132 and name HA) (resid 132 and name HG1) 2.65 0.85 0.85 ! 0.4742 1416:20 Ambig 2.22, 3.09 A or (resid 134 and name HA) (resid 134 and name HG1) ! 0.1902 1416:20 ----- 2.58, 3.08 A or (resid 134 and name HA) (resid 137 and name HG1) ! 0.0752 1416:20 ----- 3.01, 4.19 A or (resid 137 and name HA) (resid 137 and name HG1) ! 0.0509 1416:20 ----- 3.22, 3.58 A or (resid 131 and name HA) (resid 131 and name HG1) ! 0.0502 1416:20 ----- 3.22, 3.77 A or (resid 132 and name HA) (resid 131 and name HG1) ! 0.0435 1416:20 ----- 3.30, 5.72 A or (resid 135 and name HA) (resid 134 and name HG1) ! 0.0416 1416:20 ----- 3.33, 4.14 A assign (resid 131 and name HA) (resid 131 and name HG2) 2.30 0.50 0.50 ! 0.2525 1417:20 Ambig 2.32, 3.27 A or (resid 137 and name HA) (resid 137 and name HG2) ! 0.1867 1417:20 ----- 2.44, 2.90 A or (resid 132 and name HA) (resid 132 and name HG2) ! 0.1669 1417:20 ----- 2.48, 3.03 A or (resid 134 and name HA) (resid 134 and name HG2) ! 0.1234 1417:20 ----- 2.61, 3.63 A or (resid 134 and name HA) (resid 137 and name HG2) ! 0.1212 1417:20 ----- 2.62, 4.41 A or (resid 131 and name HA) (resid 134 and name HG2) ! 0.0437 1417:20 ----- 3.10, 4.18 A or (resid 130 and name HB) (resid 131 and name HG2) ! 0.0375 1417:20 ----- 3.18, 4.68 A assign (resid 75 and name HA) (resid 75 and name HG*) 2.30 0.50 0.50 ! 0.8568 1418:20 Ambig 2.46, 2.98 A or (resid 27 and name HA) (resid 22 and name HB) ! 0.0500 1418:20 ----- 3.95, 4.24 A assign (resid 1 and name HA) (resid 1 and name HB*) 2.65 0.85 0.85 ! 0.5449 1419:20 Ambig 2.41, 2.71 A or (resid 4 and name HA) (resid 1 and name HB*) ! 0.4248 1419:20 ----- 2.51, 9.08 A assign (resid 43 and name HA) (resid 43 and name HG2) 3.15 1.35 1.35 ! 0.9983 1420:20 Intra 2.36, 2.49 A assign (resid 114 and name HA) (resid 114 and name HG1) 3.15 1.35 1.35 ! 0.9655 1421:20 Intra 2.80, 2.99 A assign (resid 114 and name HA) (resid 114 and name HG2) 3.15 1.35 1.35 ! 0.9222 1422:20 Intra 3.71, 3.76 A assign (resid 52 and name HA) (resid 114 and name HG1) 3.65 1.85 1.85 ! 0.5553 1423:20 Ambig 5.20, 5.59 A or (resid 117 and name HB2) (resid 43 and name HG2) ! 0.2343 1423:20 ----- 6.01, 7.73 A or (resid 113 and name HA) (resid 114 and name HG1) ! 0.0925 1423:20 ----- 7.02, 7.16 A or (resid 110 and name HA) (resid 114 and name HG1) ! 0.0648 1423:20 ----- 7.44, 7.72 A assign (resid 52 and name HA) (resid 114 and name HG2) 3.65 1.85 1.85 ! 0.5131 1424:20 Ambig 5.66, 5.96 A or (resid 110 and name HA) (resid 114 and name HG2) ! 0.2433 1424:20 ----- 6.41, 6.82 A or (resid 51 and name HA) (resid 114 and name HG2) ! 0.0949 1424:20 ----- 7.50, 8.03 A or (resid 113 and name HA) (resid 114 and name HG2) ! 0.0871 1424:20 ----- 7.61, 7.69 A assign (resid 118 and name HA) (resid 67 and name HB1) 3.65 1.85 1.85 ! 0.9894 1425:20 Long 2.46, 2.68 A assign (resid 118 and name HA) (resid 67 and name HB2) 3.15 1.35 1.35 ! 0.5972 1426:20 Ambig 4.21, 4.42 A or (resid 68 and name HA) (resid 67 and name HB2) ! 0.3807 1426:20 ----- 4.54, 4.60 A assign (resid 67 and name HA) (resid 67 and name HB1) 3.15 1.35 1.35 ! 0.9998 1427:20 Intra 2.25, 2.27 A assign (resid 67 and name HA) (resid 67 and name HB2) 3.15 1.35 1.35 ! 0.9973 1428:20 Intra 2.90, 2.92 A assign (resid 20 and name HA) (resid 20 and name HG2) 3.15 1.35 1.35 ! 0.9956 1430:20 Intra 3.70, 3.78 A assign (resid 4 and name HA) (resid 4 and name HB*) 2.65 0.85 0.85 ! 0.9805 1431:20 Intra 2.31, 2.69 A assign (resid 43 and name HA) (resid 33 and name HB*) 3.15 1.35 1.35 ! 0.8939 1432:20 Ambig 3.09, 4.33 A or (resid 34 and name HA) (resid 33 and name HB*) ! 0.1061 1432:20 ----- 4.41, 5.20 A assign (resid 123 and name HA) (resid 72 and name HB2) 3.65 1.85 1.85 ! 0.9792 1433:20 Long 2.77, 3.41 A assign (resid 57 and name HD2) (resid 57 and name HB1) 3.65 1.85 1.85 ! 0.9901 1434:20 Intra 3.89, 3.96 A assign (resid 106 and name HA) (resid 109 and name HG1) 3.15 1.35 1.35 ! 0.9130 1435:20 Mid 2.52, 3.08 A assign (resid 50 and name HA) (resid 50 and name HG2) 2.65 0.85 0.85 ! 0.7901 1436:20 Ambig 2.38, 2.50 A or (resid 109 and name HA) (resid 109 and name HG1) ! 0.1751 1436:20 ----- 3.05, 3.19 A assign (resid 109 and name HA) (resid 109 and name HG2) 2.30 0.50 0.50 ! 0.8164 1437:20 Ambig 2.32, 2.46 A or (resid 50 and name HA) (resid 50 and name HG1) ! 0.1820 1437:20 ----- 2.98, 3.06 A assign (resid 88 and name HA) (resid 91 and name HB) 3.15 1.35 1.35 ! 0.9985 1438:20 Mid 2.74, 3.05 A assign (resid 67 and name HD*) (resid 67 and name HB2) 3.65 1.85 1.85 ! 0.0000 1439:20 Intra 2.81, 3.36 A assign (resid 64 and name HA) (resid 65 and name HB1) 4.15 2.35 2.35 ! 0.0000 1440:20 Seq 5.47, 5.54 A assign (resid 72 and name HA) (resid 72 and name HB2) 3.65 1.85 1.85 ! 0.9752 1441:20 Intra 2.48, 2.55 A assign (resid 25 and name HA) (resid 25 and name HB2) 3.15 1.35 1.35 ! 0.9655 1442:20 Intra 2.52, 2.77 A assign (resid 61 and name HB1) (resid 25 and name HB2) 3.65 1.85 1.85 ! 0.0000 1443:20 Long 2.26, 3.34 A assign (resid 120 and name HB2) (resid 67 and name HB2) 3.65 1.85 1.85 ! 0.9557 1446:20 Long 3.23, 3.60 A assign (resid 72 and name HE*) (resid 72 and name HB1) 3.65 1.85 1.85 ! 0.0000 1447:20 Intra 4.24, 4.59 A assign (resid 21 and name HB1) (resid 65 and name HB1) 3.65 1.85 1.85 ! 0.9483 1449:20 Long 1.96, 2.11 A assign (resid 65 and name HE*) (resid 65 and name HB2) 3.65 1.85 1.85 ! 0.9654 1450:20 Intra 2.04, 4.07 A assign (resid 21 and name HB2) (resid 65 and name HB2) 3.65 1.85 1.85 ! 0.0000 1451:20 Long 3.53, 3.74 A assign (resid 41 and name HB1) (resid 33 and name HB*) 3.15 1.35 1.35 ! 0.0000 1452:20 Long 4.38, 4.72 A assign (resid 33 and name HE*) (resid 33 and name HB*) 3.15 1.35 1.35 ! 0.9982 1453:20 Intra 1.97, 3.04 A assign (resid 57 and name HG1) (resid 57 and name HB1) 3.15 1.35 1.35 ! 0.9997 1454:20 Intra 2.27, 2.29 A assign (resid 57 and name HG2) (resid 57 and name HB1) 2.65 0.85 0.85 ! 0.9916 1456:20 Intra 2.93, 2.95 A assign (resid 138 and name HE*) (resid 134 and name HG1) 2.30 0.50 0.50 ! 0.2436 1458:20 Ambig 2.13, 6.61 A or (resid 132 and name HB2) (resid 132 and name HG1) ! 0.1771 1458:20 ----- 2.25, 2.51 A or (resid 131 and name HB*) (resid 131 and name HG1) ! 0.1495 1458:20 ----- 2.31, 2.52 A or (resid 137 and name HB1) (resid 137 and name HG1) ! 0.1295 1458:20 ----- 2.37, 2.56 A or (resid 134 and name HB1) (resid 134 and name HG1) ! 0.1216 1458:20 ----- 2.39, 2.50 A or (resid 50 and name HB*) (resid 50 and name HG2) ! 0.1143 1458:20 ----- 2.42, 2.75 A assign (resid 134 and name HB1) (resid 134 and name HG2) 2.30 0.50 0.50 ! 0.2631 1459:20 Ambig 2.30, 2.46 A or (resid 132 and name HB2) (resid 132 and name HG2) ! 0.2494 1459:20 ----- 2.32, 2.71 A or (resid 131 and name HB*) (resid 131 and name HG2) ! 0.2421 1459:20 ----- 2.33, 2.72 A or (resid 137 and name HB1) (resid 137 and name HG2) ! 0.1542 1459:20 ----- 2.51, 2.89 A assign (resid 93 and name HG2*) (resid 57 and name HB1) 3.65 1.85 1.85 ! 0.5560 1464:20 Ambig 5.01, 6.33 A or (resid 58 and name HB2) (resid 57 and name HB1) ! 0.3353 1464:20 ----- 5.45, 5.59 A or (resid 56 and name HG2*) (resid 57 and name HB1) ! 0.1086 1464:20 ----- 6.57, 7.48 A assign (resid 33 and name HD*) (resid 43 and name HG2) 2.30 0.50 0.50 ! 0.5531 1465:20 Ambig 1.89, 4.25 A or (resid 33 and name HG1) (resid 43 and name HG2) ! 0.3201 1465:20 ----- 2.08, 3.23 A or (resid 114 and name HB1) (resid 114 and name HG1) ! 0.1265 1465:20 ----- 2.42, 2.47 A assign (resid 114 and name HB1) (resid 114 and name HG2) 2.65 0.85 0.85 ! 0.9933 1466:20 Intra 2.34, 2.39 A assign (resid 114 and name HB2) (resid 114 and name HG1) 3.15 1.35 1.35 ! 0.9956 1467:20 Intra 2.99, 3.00 A assign (resid 114 and name HB2) (resid 114 and name HG2) 2.65 0.85 0.85 ! 0.9827 1468:20 Intra 2.41, 2.46 A assign (resid 67 and name HG1) (resid 67 and name HB2) 2.65 0.85 0.85 ! 0.9318 1469:20 Intra 2.98, 2.99 A assign (resid 35 and name HB*) (resid 20 and name HG2) 2.65 0.85 0.85 ! 0.9970 1470:20 Long 2.04, 2.83 A assign (resid 4 and name HG*) (resid 4 and name HB*) 2.30 0.50 0.50 ! 0.5055 1472:20 Ambig 2.28, 2.68 A or (resid 97 and name HG*) (resid 97 and name HB*) ! 0.4891 1472:20 ----- 2.29, 2.65 A assign (resid 64 and name HG2*) (resid 64 and name HB) 2.30 0.50 0.50 ! 0.9540 1473:20 Intra 2.40, 2.62 A assign (resid 65 and name HG1) (resid 65 and name HB1) 3.15 1.35 1.35 ! 0.9984 1475:20 Intra 2.44, 2.98 A assign (resid 65 and name HG1) (resid 65 and name HB2) 3.15 1.35 1.35 ! 0.9962 1476:20 Intra 2.33, 2.49 A assign (resid 33 and name HG1) (resid 33 and name HB*) 2.30 0.50 0.50 ! 0.5163 1477:20 Ambig 2.38, 2.75 A or (resid 33 and name HD*) (resid 33 and name HB*) ! 0.4817 1477:20 ----- 2.41, 3.28 A assign (resid 60 and name HD1*) (resid 57 and name HB1) 3.65 1.85 1.85 ! 0.9706 1478:20 Mid 5.07, 5.74 A assign (resid 22 and name HG1*) (resid 22 and name HB) 2.30 0.50 0.50 ! 0.5331 1479:20 Ambig 2.31, 2.60 A or (resid 22 and name HG2*) (resid 22 and name HB) ! 0.4307 1479:20 ----- 2.40, 2.63 A assign (resid 28 and name HD2*) (resid 50 and name HG2) 3.15 1.35 1.35 ! 0.9987 1480:20 Long 2.25, 2.80 A assign (resid 91 and name HD1*) (resid 91 and name HB) 3.65 1.85 1.85 ! 0.0000 1481:20 Intra 3.73, 3.93 A assign (resid 102 and name HG1*) (resid 102 and name HB) 2.30 0.50 0.50 ! 0.5259 1482:20 Ambig 2.36, 2.62 A or (resid 102 and name HG2*) (resid 102 and name HB) ! 0.4531 1482:20 ----- 2.42, 2.63 A assign (resid 104 and name HD2*) (resid 78 and name HG2) 2.30 0.50 0.50 ! 0.9638 1483:20 Long 2.00, 3.13 A assign (resid 34 and name HG2*) (resid 20 and name HG2) 3.15 1.35 1.35 ! 0.4584 1484:20 Ambig 3.64, 5.27 A or (resid 102 and name HG2*) (resid 78 and name HG2) ! 0.2777 1484:20 ----- 3.95, 5.49 A or (resid 102 and name HG1*) (resid 78 and name HG2) ! 0.1352 1484:20 ----- 4.46, 5.81 A or (resid 34 and name HD1*) (resid 20 and name HG2) ! 0.1108 1484:20 ----- 4.61, 5.93 A assign (resid 64 and name HG1*) (resid 64 and name HB) 2.30 0.50 0.50 ! 0.0000 1485:20 Intra 2.43, 2.64 A assign (resid 60 and name HG) (resid 57 and name HB2) 2.30 0.50 0.50 ! 0.5650 1486:20 Ambig 2.82, 2.93 A or (resid 91 and name HG2*) (resid 97 and name HB*) ! 0.2166 1486:20 ----- 3.31, 6.00 A or (resid 95 and name HD1*) (resid 97 and name HB*) ! 0.1944 1486:20 ----- 3.37, 5.09 A assign (resid 24 and name HD1*) (resid 64 and name HB) 2.65 0.85 0.85 ! 0.0000 1487:20 Long 2.26, 2.94 A assign (resid 64 and name HG1*) (resid 65 and name HB2) 3.65 1.85 1.85 ! 0.5553 1488:20 Ambig 4.98, 5.70 A or (resid 69 and name HD1*) (resid 65 and name HB2) ! 0.1718 1488:20 ----- 6.06, 6.98 A or (resid 66 and name HG12) (resid 65 and name HB2) ! 0.1498 1488:20 ----- 6.20, 6.31 A or (resid 63 and name HB2) (resid 65 and name HB2) ! 0.0485 1488:20 ----- 7.48, 7.94 A assign (resid 123 and name HD2*) (resid 72 and name HB2) 3.15 1.35 1.35 ! 0.9877 1489:20 Long 2.23, 3.46 A assign (resid 66 and name HG2*) (resid 64 and name HB) 3.15 1.35 1.35 ! 0.5941 1490:20 Ambig 3.90, 4.90 A or (resid 28 and name HD1*) (resid 25 and name HB1) ! 0.2259 1490:20 ----- 4.58, 6.24 A or (resid 24 and name HG2*) (resid 64 and name HB) ! 0.1120 1490:20 ----- 5.15, 5.83 A assign (resid 28 and name HD1*) (resid 25 and name HB2) 3.65 1.85 1.85 ! 0.5612 1491:20 Ambig 4.46, 6.04 A or (resid 24 and name HG2*) (resid 25 and name HB2) ! 0.3277 1491:20 ----- 4.88, 6.14 A or (resid 58 and name HD2*) (resid 25 and name HB2) ! 0.0991 1491:20 ----- 5.96, 7.99 A assign (resid 66 and name HN) (resid 65 and name HD*) 3.65 1.85 1.85 ! 0.6661 1492:20 Ambig 4.01, 6.04 A or (resid 104 and name HN) (resid 97 and name HG*) ! 0.3339 1492:20 ----- 4.50, 6.58 A assign (resid 112 and name HN) (resid 110 and name HB*) 3.65 1.85 1.85 ! 0.0000 1493:20 Mid 4.68, 5.26 A assign (resid 79 and name HN) (resid 78 and name HB1) 3.65 1.85 1.85 ! 0.9159 1494:20 Seq 2.45, 2.78 A assign (resid 79 and name HN) (resid 78 and name HB2) 3.65 1.85 1.85 ! 0.8573 1495:20 Ambig 3.62, 3.84 A or (resid 103 and name HN) (resid 78 and name HB2) ! 0.0846 1495:20 ----- 5.33, 5.83 A assign (resid 50 and name HN) (resid 49 and name HB) 3.15 1.35 1.35 ! 0.9994 1496:20 Seq 2.49, 2.66 A assign (resid 44 and name HN) (resid 43 and name HB1) 3.15 1.35 1.35 ! 0.0000 1498:20 Seq 2.65, 3.03 A assign (resid 44 and name HN) (resid 43 and name HB2) 3.15 1.35 1.35 ! 0.8922 1499:20 Ambig 3.75, 4.01 A or (resid 23 and name HN) (resid 31 and name HB1) ! 0.0937 1499:20 ----- 5.45, 5.74 A assign (resid 112 and name HN) (resid 109 and name HB*) 3.65 1.85 1.85 ! 0.0000 1500:20 Mid 5.09, 5.38 A assign (resid 45 and name HN) (resid 45 and name HD*) 3.15 1.35 1.35 ! 0.9947 1501:20 Intra 2.47, 3.55 A assign (resid 45 and name HN) (resid 45 and name HB2) 3.15 1.35 1.35 ! 0.9996 1502:20 Intra 2.15, 2.25 A assign (resid 72 and name HN) (resid 72 and name HD*) 3.65 1.85 1.85 ! 0.6640 1503:20 Ambig 4.67, 5.09 A or (resid 79 and name HN) (resid 72 and name HD*) ! 0.1688 1503:20 ----- 5.87, 7.95 A or (resid 122 and name HN) (resid 72 and name HD*) ! 0.1023 1503:20 ----- 6.38, 7.49 A assign (resid 34 and name HN) (resid 33 and name HD*) 4.15 2.35 2.35 ! 0.9854 1504:20 Seq 3.66, 5.48 A assign (resid 52 and name HN) (resid 51 and name HB*) 2.65 0.85 0.85 ! 0.9583 1505:20 Seq 3.71, 3.98 A assign (resid 51 and name HN) (resid 51 and name HB*) 3.15 1.35 1.35 ! 0.9979 1506:20 Intra 2.48, 3.23 A assign (resid 89 and name HN) (resid 89 and name HB2) 2.65 0.85 0.85 ! 0.4532 1507:20 Ambig 2.23, 2.50 A or (resid 89 and name HN) (resid 89 and name HB1) ! 0.2784 1507:20 ----- 2.42, 2.50 A or (resid 90 and name HN) (resid 89 and name HB1) ! 0.2457 1507:20 ----- 2.47, 2.66 A assign (resid 111 and name HN) (resid 110 and name HB*) 3.15 1.35 1.35 ! 0.6033 1508:20 Ambig 2.17, 2.91 A or (resid 21 and name HN) (resid 20 and name HB*) ! 0.3965 1508:20 ----- 2.33, 3.23 A assign (resid 92 and name HN) (resid 88 and name HB1) 4.15 2.35 2.35 ! 0.7162 1509:20 Ambig 4.87, 5.16 A or (resid 27 and name HN) (resid 49 and name HB) ! 0.1631 1509:20 ----- 6.23, 6.42 A or (resid 82 and name HN) (resid 88 and name HB1) ! 0.0765 1509:20 ----- 7.06, 7.41 A assign (resid 31 and name HN) (resid 31 and name HB1) 3.65 1.85 1.85 ! 0.8896 1510:20 Ambig 3.47, 3.55 A or (resid 27 and name HN) (resid 31 and name HB1) ! 0.1104 1510:20 ----- 4.91, 5.26 A assign (resid 51 and name HN) (resid 51 and name HD*) 3.65 1.85 1.85 ! 0.7665 1511:20 Ambig 3.38, 4.44 A or (resid 111 and name HN) (resid 110 and name HD*) ! 0.1883 1511:20 ----- 4.27, 5.20 A assign (resid 140 and name HN) (resid 140 and name HB*) 3.15 1.35 1.35 ! 0.5543 1512:20 Ambig 2.17, 2.75 A or (resid 93 and name HN) (resid 93 and name HG11) ! 0.3874 1512:20 ----- 2.30, 2.41 A assign (resid 129 and name HN) (resid 132 and name HB1) 3.15 1.35 1.35 ! 0.4952 1513:20 Ambig 2.03, 3.08 A or (resid 132 and name HN) (resid 132 and name HB1) ! 0.3087 1513:20 ----- 2.20, 2.54 A or (resid 109 and name HN) (resid 109 and name HB*) ! 0.1927 1513:20 ----- 2.38, 3.04 A assign (resid 89 and name HN) (resid 89 and name HD*) 3.15 1.35 1.35 ! 0.5787 1514:20 Ambig 4.30, 5.33 A or (resid 90 and name HN) (resid 89 and name HD*) ! 0.3284 1514:20 ----- 4.73, 5.39 A assign (resid 109 and name HN) (resid 108 and name HB) 4.15 2.35 2.35 ! 0.9825 1516:20 Seq 2.58, 2.68 A assign (resid 31 and name HN) (resid 31 and name HB2) 3.65 1.85 1.85 ! 0.9551 1517:20 Intra 2.17, 2.32 A assign (resid 65 and name HN) (resid 65 and name HD*) 3.65 1.85 1.85 ! 0.3500 1518:20 Ambig 3.91, 4.68 A or (resid 84 and name HN) (resid 65 and name HD*) ! 0.2209 1518:20 ----- 4.23, 6.02 A or (resid 74 and name HN) (resid 72 and name HD*) ! 0.2014 1518:20 ----- 4.29, 6.50 A or (resid 95 and name HN) (resid 97 and name HG*) ! 0.1480 1518:20 ----- 4.52, 6.07 A assign (resid 115 and name HN) (resid 114 and name HB1) 3.65 1.85 1.85 ! 0.9997 1519:20 Seq 2.42, 2.49 A assign (resid 115 and name HN) (resid 114 and name HB2) 3.65 1.85 1.85 ! 0.0000 1520:20 Seq 3.62, 3.76 A assign (resid 94 and name HN) (resid 93 and name HG12) 3.65 1.85 1.85 ! 0.5186 1521:20 Ambig 4.98, 5.05 A or (resid 92 and name HN) (resid 93 and name HG12) ! 0.1992 1521:20 ----- 5.84, 5.94 A or (resid 96 and name HN) (resid 93 and name HG12) ! 0.1646 1521:20 ----- 6.03, 6.19 A or (resid 90 and name HN) (resid 93 and name HG12) ! 0.0850 1521:20 ----- 6.73, 6.95 A assign (resid 93 and name HN) (resid 93 and name HG12) 3.15 1.35 1.35 ! 0.9706 1522:20 Intra 3.61, 3.67 A assign (resid 92 and name HN) (resid 91 and name HG11) 3.65 1.85 1.85 ! 0.4626 1523:20 Ambig 4.89, 4.97 A or (resid 82 and name HN) (resid 91 and name HG11) ! 0.2297 1523:20 ----- 5.50, 5.78 A or (resid 90 and name HN) (resid 91 and name HG11) ! 0.1608 1523:20 ----- 5.83, 5.91 A or (resid 89 and name HN) (resid 91 and name HG11) ! 0.0906 1523:20 ----- 6.42, 6.51 A assign (resid 92 and name HN) (resid 91 and name HG12) 3.65 1.85 1.85 ! 0.4512 1524:20 Ambig 4.04, 4.13 A or (resid 90 and name HN) (resid 91 and name HG12) ! 0.3744 1524:20 ----- 4.17, 4.26 A or (resid 89 and name HN) (resid 91 and name HG12) ! 0.0991 1524:20 ----- 5.20, 5.28 A assign (resid 91 and name HN) (resid 91 and name HG11) 3.15 1.35 1.35 ! 0.0000 1525:20 Intra 3.52, 3.57 A assign (resid 91 and name HN) (resid 91 and name HG12) 3.15 1.35 1.35 ! 0.9960 1526:20 Intra 1.98, 2.03 A assign (resid 142 and name HD2) (resid 142 and name HB1) 2.65 0.85 0.85 ! 0.3856 1527:20 Ambig 2.87, 3.53 A or (resid 143 and name HD2) (resid 143 and name HB1) ! 0.3565 1527:20 ----- 2.91, 3.66 A or (resid 146 and name HD2) (resid 145 and name HB1) ! 0.1732 1527:20 ----- 3.28, 6.70 A assign (resid 25 and name HN) (resid 61 and name HB1) 3.65 1.85 1.85 ! 0.0000 1528:20 Long 2.90, 3.12 A assign (resid 24 and name HN) (resid 61 and name HB1) 3.65 1.85 1.85 ! 0.7954 1529:20 Ambig 4.19, 4.46 A or (resid 64 and name HN) (resid 61 and name HB1) ! 0.1121 1529:20 ----- 5.81, 6.03 A assign (resid 61 and name HZ3) (resid 61 and name HB1) 3.15 1.35 1.35 ! 0.4581 1530:20 Ambig 4.94, 5.03 A or (resid 63 and name HN) (resid 61 and name HB1) ! 0.3980 1530:20 ----- 5.05, 5.14 A or (resid 60 and name HN) (resid 61 and name HB1) ! 0.1439 1530:20 ----- 5.99, 6.07 A assign (resid 142 and name HD2) (resid 142 and name HB2) 3.15 1.35 1.35 ! 0.4054 1531:20 Ambig 2.61, 3.34 A or (resid 143 and name HD2) (resid 143 and name HB2) ! 0.3574 1531:20 ----- 2.67, 3.14 A or (resid 146 and name HD2) (resid 144 and name HB2) ! 0.1129 1531:20 ----- 3.23, 8.52 A or (resid 143 and name HD2) (resid 142 and name HB2) ! 0.0794 1531:20 ----- 3.43, 5.71 A assign (resid 55 and name HE) (resid 55 and name HB1) 3.15 1.35 1.35 ! 0.9407 1532:20 Intra 1.90, 3.47 A assign (resid 86 and name HE3) (resid 89 and name HB1) 3.65 1.85 1.85 ! 0.9772 1533:20 Mid 3.32, 3.49 A assign (resid 88 and name HN) (resid 89 and name HB1) 3.65 1.85 1.85 ! 0.6733 1534:20 Ambig 4.45, 4.66 A or (resid 86 and name HZ3) (resid 89 and name HB1) ! 0.2907 1534:20 ----- 5.12, 5.32 A assign (resid 86 and name HD1) (resid 84 and name HB*) 3.15 1.35 1.35 ! 0.9956 1535:20 Mid 2.18, 2.93 A assign (resid 87 and name HD22) (resid 84 and name HB*) 3.65 1.85 1.85 ! 0.9793 1536:20 Mid 2.29, 5.86 A assign (resid 115 and name HD*) (resid 48 and name HB1) 3.65 1.85 1.85 ! 0.9729 1537:20 Long 1.96, 4.09 A assign (resid 48 and name HN) (resid 48 and name HB2) 3.65 1.85 1.85 ! 0.8920 1538:20 Ambig 2.50, 2.54 A or (resid 115 and name HD*) (resid 48 and name HB2) ! 0.1080 1538:20 ----- 3.56, 5.57 A assign (resid 49 and name HN) (resid 48 and name HB1) 3.65 1.85 1.85 ! 0.0000 1539:20 Seq 3.93, 4.04 A assign (resid 49 and name HN) (resid 48 and name HB2) 3.65 1.85 1.85 ! 0.0000 1540:20 Seq 2.85, 3.05 A assign (resid 143 and name HD2) (resid 137 and name HB1) 3.15 1.35 1.35 ! 0.8788 1541:20 Ambig 2.20, 3.25 A or (resid 141 and name HD2) (resid 137 and name HB1) ! 0.0771 1541:20 ----- 3.29, 5.95 A assign (resid 70 and name HD*) (resid 81 and name HB) 3.15 1.35 1.35 ! 0.8392 1542:20 Ambig 4.61, 6.63 A or (resid 80 and name HD*) (resid 81 and name HB) ! 0.1470 1542:20 ----- 6.16, 7.32 A assign (resid 49 and name HN) (resid 49 and name HB) 2.65 0.85 0.85 ! 0.9923 1543:20 Intra 2.49, 2.54 A assign (resid 86 and name HE3) (resid 89 and name HD*) 3.15 1.35 1.35 ! 0.9986 1544:20 Mid 2.05, 3.21 A assign (resid 86 and name HZ3) (resid 89 and name HD*) 3.15 1.35 1.35 ! 0.9423 1545:20 Mid 3.09, 3.79 A assign (resid 129 and name HD*) (resid 132 and name HB1) 3.65 1.85 1.85 ! 0.0000 1546:20 Mid 2.98, 4.90 A assign (resid 86 and name HD1) (resid 85 and name HG2) 3.65 1.85 1.85 ! 0.8624 1547:20 Ambig 3.55, 4.04 A or (resid 86 and name HE3) (resid 85 and name HG2) ! 0.1322 1547:20 ----- 4.86, 5.17 A assign (resid 86 and name HZ3) (resid 85 and name HG1) 3.65 1.85 1.85 ! 0.3366 1548:20 Ambig 4.20, 4.45 A or (resid 80 and name HE*) (resid 78 and name HB2) ! 0.2620 1548:20 ----- 4.38, 5.87 A or (resid 86 and name HH2) (resid 85 and name HG1) ! 0.2122 1548:20 ----- 4.54, 4.78 A or (resid 80 and name HZ) (resid 78 and name HB2) ! 0.1112 1548:20 ----- 5.05, 5.59 A assign (resid 86 and name HH2) (resid 85 and name HG2) 3.65 1.85 1.85 ! 0.3757 1549:20 Ambig 5.42, 5.71 A or (resid 86 and name HZ3) (resid 85 and name HG2) ! 0.3068 1549:20 ----- 5.61, 5.92 A or (resid 88 and name HN) (resid 85 and name HG2) ! 0.2171 1549:20 ----- 5.94, 6.07 A or (resid 87 and name HD22) (resid 85 and name HG2) ! 0.1004 1549:20 ----- 6.76, 9.20 A assign (resid 108 and name HN) (resid 108 and name HB) 2.65 0.85 0.85 ! 0.0000 1550:20 Intra 2.51, 2.55 A assign (resid 24 and name HN) (resid 24 and name HG11) 3.15 1.35 1.35 ! 0.9836 1551:20 Intra 2.01, 2.09 A assign (resid 86 and name HD1) (resid 65 and name HD*) 3.65 1.85 1.85 ! 0.4997 1552:20 Ambig 4.81, 6.41 A or (resid 24 and name HN) (resid 65 and name HD*) ! 0.3452 1552:20 ----- 5.11, 8.13 A or (resid 64 and name HN) (resid 65 and name HD*) ! 0.1551 1552:20 ----- 5.84, 7.62 A assign (resid 25 and name HN) (resid 24 and name HG11) 3.65 1.85 1.85 ! 0.9824 1553:20 Seq 3.94, 4.04 A assign (resid 115 and name HD*) (resid 114 and name HB1) 3.65 1.85 1.85 ! 0.5262 1554:20 Ambig 2.98, 4.07 A or (resid 20 and name HN) (resid 18 and name HB2) ! 0.4521 1554:20 ----- 3.05, 3.50 A assign (resid 115 and name HD*) (resid 114 and name HB2) 3.65 1.85 1.85 ! 0.9393 1555:20 Seq 4.67, 5.57 A assign (resid 68 and name HE*) (resid 91 and name HG12) 3.65 1.85 1.85 ! 0.6269 1556:20 Ambig 3.76, 5.27 A or (resid 70 and name HE*) (resid 91 and name HG12) ! 0.3731 1556:20 ----- 4.10, 5.44 A assign (resid 24 and name HN) (resid 24 and name HG12) 3.65 1.85 1.85 ! 0.9534 1557:20 Intra 3.31, 3.38 A assign (resid 61 and name HD1) (resid 61 and name HB1) 3.65 1.85 1.85 ! 0.0000 1558:20 Intra 3.67, 3.75 A assign (resid 42 and name HD2) (resid 42 and name HB*) 3.65 1.85 1.85 ! 0.8162 1559:20 Ambig 2.80, 3.39 A or (resid 120 and name HE*) (resid 42 and name HB*) ! 0.1821 1559:20 ----- 3.60, 4.38 A assign (resid 61 and name HD1) (resid 61 and name HB2) 4.15 2.35 2.35 ! 0.0000 1560:20 Intra 3.37, 3.49 A assign (resid 115 and name HE*) (resid 51 and name HB*) 3.15 1.35 1.35 ! 0.9808 1561:20 Long 3.18, 6.13 A assign (resid 21 and name HD*) (resid 20 and name HB*) 3.65 1.85 1.85 ! 0.8799 1562:20 Ambig 5.18, 6.46 A or (resid 41 and name HD*) (resid 20 and name HB*) ! 0.1201 1562:20 ----- 7.22, 9.88 A assign (resid 21 and name HD*) (resid 18 and name HB1) 4.15 2.35 2.35 ! 0.9952 1563:20 Mid 3.17, 5.16 A assign (resid 21 and name HE*) (resid 18 and name HB1) 3.65 1.85 1.85 ! 0.7201 1564:20 Ambig 3.52, 5.30 A or (resid 120 and name HE*) (resid 18 and name HB1) ! 0.2407 1564:20 ----- 4.23, 5.69 A assign (resid 115 and name HE*) (resid 51 and name HD*) 3.65 1.85 1.85 ! 0.9994 1565:20 Long 2.82, 5.60 A assign (resid 41 and name HD*) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.9945 1567:20 Long 2.62, 5.43 A assign (resid 79 and name HE*) (resid 108 and name HB) 3.15 1.35 1.35 ! 0.9599 1568:20 Long 3.60, 4.47 A assign (resid 21 and name HD*) (resid 65 and name HD*) 3.15 1.35 1.35 ! 0.9953 1569:20 Long 2.43, 4.84 A assign (resid 79 and name HE*) (resid 72 and name HD*) 3.15 1.35 1.35 ! 0.9363 1570:20 Long 2.78, 4.89 A assign (resid 21 and name HD*) (resid 18 and name HB2) 4.15 2.35 2.35 ! 0.6160 1571:20 Ambig 2.21, 4.31 A or (resid 114 and name HN) (resid 114 and name HB1) ! 0.3840 1571:20 ----- 2.39, 2.51 A assign (resid 21 and name HE*) (resid 18 and name HB2) 3.15 1.35 1.35 ! 0.9714 1572:20 Mid 1.95, 3.80 A assign (resid 115 and name HE*) (resid 114 and name HB2) 3.65 1.85 1.85 ! 0.0000 1573:20 Seq 4.75, 5.62 A assign (resid 41 and name HD*) (resid 33 and name HD*) 3.15 1.35 1.35 ! 0.0000 1574:20 Long 3.43, 4.65 A assign (resid 70 and name HZ) (resid 91 and name HG12) 4.15 2.35 2.35 ! 0.7448 1575:20 Ambig 4.08, 4.28 A or (resid 68 and name HZ) (resid 91 and name HG12) ! 0.2329 1575:20 ----- 4.95, 5.39 A assign (resid 120 and name HZ) (resid 42 and name HB*) 4.15 2.35 2.35 ! 0.0000 1576:20 Long 2.36, 2.70 A assign (resid 23 and name HA) (resid 65 and name HD*) 3.65 1.85 1.85 ! 0.0000 1577:20 Long 2.78, 5.92 A assign (resid 42 and name HA) (resid 42 and name HB*) 3.15 1.35 1.35 ! 0.0000 1578:20 Intra 2.37, 2.74 A assign (resid 124 and name HA) (resid 125 and name HB1) 3.65 1.85 1.85 ! 0.9385 1579:20 Seq 4.75, 5.16 A assign (resid 115 and name HA) (resid 48 and name HB1) 3.65 1.85 1.85 ! 0.0000 1580:20 Long 2.27, 2.43 A assign (resid 115 and name HA) (resid 48 and name HB2) 3.65 1.85 1.85 ! 0.0000 1581:20 Long 3.66, 3.85 A assign (resid 104 and name HA) (resid 78 and name HB1) 3.65 1.85 1.85 ! 0.6672 1583:20 Ambig 3.66, 4.27 A or (resid 102 and name HA) (resid 78 and name HB1) ! 0.2549 1583:20 ----- 4.30, 4.75 A assign (resid 78 and name HA) (resid 78 and name HB2) 3.15 1.35 1.35 ! 0.7535 1584:20 Ambig 3.00, 3.03 A or (resid 21 and name HA) (resid 18 and name HB1) ! 0.1502 1584:20 ----- 3.92, 4.15 A assign (resid 78 and name HA) (resid 78 and name HB1) 3.15 1.35 1.35 ! 0.9722 1585:20 Intra 2.37, 2.49 A assign (resid 33 and name HA) (resid 43 and name HB1) 3.65 1.85 1.85 ! 0.7851 1586:20 Ambig 3.88, 4.50 A or (resid 42 and name HA) (resid 43 and name HB1) ! 0.2149 1586:20 ----- 4.81, 5.56 A assign (resid 33 and name HA) (resid 43 and name HB2) 3.15 1.35 1.35 ! 0.5508 1587:20 Ambig 4.01, 5.11 A or (resid 42 and name HA) (resid 43 and name HB2) ! 0.4151 1587:20 ----- 4.20, 4.50 A assign (resid 41 and name HA) (resid 35 and name HB*) 3.65 1.85 1.85 ! 0.0000 1588:20 Long 4.10, 5.09 A assign (resid 33 and name HA) (resid 33 and name HD*) 3.15 1.35 1.35 ! 0.0000 1589:20 Intra 2.24, 4.48 A assign (resid 22 and name HA) (resid 65 and name HD*) 3.15 1.35 1.35 ! 0.5692 1590:20 Ambig 3.45, 6.14 A or (resid 79 and name HA) (resid 72 and name HD*) ! 0.1608 1590:20 ----- 4.25, 6.23 A or (resid 23 and name HB) (resid 65 and name HD*) ! 0.1520 1590:20 ----- 4.29, 7.21 A or (resid 21 and name HA) (resid 65 and name HD*) ! 0.0786 1590:20 ----- 4.79, 6.23 A assign (resid 65 and name HA) (resid 65 and name HD*) 3.15 1.35 1.35 ! 0.9987 1591:20 Intra 2.20, 4.42 A assign (resid 21 and name HA) (resid 18 and name HB2) 3.65 1.85 1.85 ! 0.6471 1593:20 Ambig 3.99, 4.31 A or (resid 115 and name HA) (resid 114 and name HB1) ! 0.3275 1593:20 ----- 4.47, 4.60 A assign (resid 61 and name HA) (resid 61 and name HB1) 3.15 1.35 1.35 ! 0.0000 1595:20 Intra 2.43, 2.50 A assign (resid 61 and name HA) (resid 61 and name HB2) 3.65 1.85 1.85 ! 0.0000 1597:20 Intra 3.00, 3.02 A assign (resid 135 and name HA) (resid 138 and name HG1) 3.15 1.35 1.35 ! 0.4482 1598:20 Ambig 2.58, 4.24 A or (resid 138 and name HA) (resid 138 and name HG1) ! 0.4179 1598:20 ----- 2.61, 3.35 A or (resid 139 and name HA) (resid 138 and name HG1) ! 0.0991 1598:20 ----- 3.32, 4.09 A assign (resid 135 and name HA) (resid 138 and name HG2) 3.15 1.35 1.35 ! 0.8406 1599:20 Ambig 2.06, 3.57 A or (resid 138 and name HA) (resid 138 and name HG2) ! 0.0907 1599:20 ----- 2.99, 3.71 A assign (resid 135 and name HA) (resid 138 and name HB*) 2.30 0.50 0.50 ! 0.6309 1600:20 Ambig 2.12, 3.51 A or (resid 138 and name HA) (resid 138 and name HB*) ! 0.3388 1600:20 ----- 2.35, 2.66 A assign (resid 51 and name HA) (resid 51 and name HB*) 2.65 0.85 0.85 ! 0.9603 1601:20 Intra 2.35, 2.45 A assign (resid 125 and name HA) (resid 125 and name HB1) 2.65 0.85 0.85 ! 0.5263 1602:20 Ambig 2.24, 2.29 A or (resid 86 and name HA) (resid 89 and name HB1) ! 0.4687 1602:20 ----- 2.28, 2.39 A assign (resid 84 and name HA) (resid 84 and name HB*) 2.65 0.85 0.85 ! 0.9798 1603:20 Intra 2.39, 2.75 A assign (resid 131 and name HA) (resid 134 and name HB1) 2.30 0.50 0.50 ! 0.4380 1604:20 Ambig 1.98, 2.77 A or (resid 131 and name HA) (resid 131 and name HB*) ! 0.1592 1604:20 ----- 2.34, 2.64 A or (resid 132 and name HA) (resid 132 and name HB2) ! 0.1453 1604:20 ----- 2.38, 2.50 A or (resid 137 and name HA) (resid 137 and name HB1) ! 0.1413 1604:20 ----- 2.39, 2.49 A or (resid 134 and name HA) (resid 134 and name HB1) ! 0.0636 1604:20 ----- 2.73, 3.00 A assign (resid 97 and name HA) (resid 97 and name HB*) 2.65 0.85 0.85 ! 0.7872 1605:20 Ambig 2.44, 2.77 A or (resid 92 and name HA) (resid 97 and name HB*) ! 0.1765 1605:20 ----- 3.14, 4.38 A assign (resid 20 and name HA) (resid 20 and name HB*) 2.30 0.50 0.50 ! 0.9984 1606:20 Intra 2.38, 2.47 A assign (resid 11 and name HA) (resid 11 and name HB*) 2.65 0.85 0.85 ! 0.9202 1607:20 Intra 2.38, 2.66 A assign (resid 45 and name HA) (resid 45 and name HB1) 2.30 0.50 0.50 ! 0.8951 1608:20 Ambig 2.64, 2.67 A or (resid 48 and name HA) (resid 51 and name HB*) ! 0.0776 1608:20 ----- 3.96, 4.64 A assign (resid 127 and name HA) (resid 127 and name HB1) 2.65 0.85 0.85 ! 0.9825 1609:20 Intra 2.35, 2.69 A assign (resid 127 and name HA) (resid 127 and name HB2) 2.65 0.85 0.85 ! 0.9614 1610:20 Intra 2.39, 2.83 A assign (resid 43 and name HA) (resid 43 and name HB1) 2.65 0.85 0.85 ! 0.9989 1611:20 Intra 2.41, 2.52 A assign (resid 31 and name HA) (resid 31 and name HB1) 2.65 0.85 0.85 ! 0.9672 1612:20 Intra 2.44, 2.54 A assign (resid 113 and name HA) (resid 113 and name HB*) 2.30 0.50 0.50 ! 0.7552 1614:20 Ambig 2.44, 2.80 A or (resid 110 and name HA) (resid 113 and name HB*) ! 0.2427 1614:20 ----- 2.95, 4.22 A assign (resid 107 and name HA) (resid 110 and name HD*) 3.15 1.35 1.35 ! 0.9758 1615:20 Mid 2.01, 3.32 A assign (resid 75 and name HA) (resid 75 and name HB1) 2.30 0.50 0.50 ! 0.9837 1616:20 Intra 2.32, 2.44 A assign (resid 75 and name HA) (resid 75 and name HB2) 2.65 0.85 0.85 ! 0.9205 1617:20 Intra 2.97, 3.01 A assign (resid 137 and name HA) (resid 140 and name HB*) 2.30 0.50 0.50 ! 0.4353 1618:20 Ambig 2.18, 4.56 A or (resid 98 and name HA) (resid 98 and name HB2) ! 0.2368 1618:20 ----- 2.42, 2.81 A or (resid 140 and name HA) (resid 140 and name HB*) ! 0.2360 1618:20 ----- 2.42, 2.75 A assign (resid 86 and name HA) (resid 89 and name HD*) 2.65 0.85 0.85 ! 0.9939 1619:20 Mid 2.61, 4.10 A assign (resid 134 and name HA) (resid 134 and name HB2) 2.30 0.50 0.50 ! 0.5707 1620:20 Ambig 2.38, 2.51 A or (resid 45 and name HA) (resid 45 and name HD*) ! 0.3206 1620:20 ----- 2.62, 3.86 A or (resid 4 and name HA) (resid 4 and name HD*) ! 0.1087 1620:20 ----- 3.14, 4.47 A assign (resid 86 and name HA) (resid 85 and name HG2) 3.65 1.85 1.85 ! 0.9685 1621:20 Seq 4.26, 4.66 A assign (resid 45 and name HA) (resid 45 and name HB2) 2.65 0.85 0.85 ! 0.9409 1622:20 Intra 2.95, 2.97 A assign (resid 105 and name HA) (resid 108 and name HB) 3.15 1.35 1.35 ! 0.9989 1623:20 Mid 2.53, 2.74 A assign (resid 39 and name HA) (resid 35 and name HB*) 3.65 1.85 1.85 ! 0.6242 1624:20 Ambig 4.58, 4.89 A or (resid 18 and name HA) (resid 35 and name HB*) ! 0.3758 1624:20 ----- 4.98, 6.02 A assign (resid 31 and name HA) (resid 31 and name HB2) 3.15 1.35 1.35 ! 0.9153 1625:20 Intra 2.94, 3.00 A assign (resid 27 and name HA) (resid 31 and name HB2) 3.65 1.85 1.85 ! 0.7071 1626:20 Ambig 2.75, 3.08 A or (resid 26 and name HA) (resid 31 and name HB2) ! 0.2343 1626:20 ----- 3.31, 3.56 A assign (resid 97 and name HA) (resid 97 and name HG*) 3.65 1.85 1.85 ! 0.8953 1627:20 Ambig 2.42, 3.12 A or (resid 123 and name HA) (resid 72 and name HD*) ! 0.0644 1627:20 ----- 3.75, 4.63 A assign (resid 117 and name HB1) (resid 45 and name HD*) 2.65 0.85 0.85 ! 0.5509 1628:20 Ambig 1.93, 2.79 A or (resid 31 and name HA) (resid 31 and name HD*) ! 0.4233 1628:20 ----- 2.02, 3.03 A assign (resid 20 and name HA) (resid 18 and name HB2) 3.65 1.85 1.85 ! 0.6361 1630:20 Ambig 4.62, 5.03 A or (resid 17 and name HA) (resid 18 and name HB2) ! 0.3236 1630:20 ----- 5.17, 5.38 A assign (resid 114 and name HA) (resid 114 and name HB1) 2.65 0.85 0.85 ! 0.9849 1631:20 Intra 3.00, 3.01 A assign (resid 114 and name HA) (resid 114 and name HB2) 2.65 0.85 0.85 ! 0.9984 1632:20 Intra 2.47, 2.50 A assign (resid 43 and name HA) (resid 33 and name HD*) 3.65 1.85 1.85 ! 0.9856 1633:20 Long 2.32, 5.34 A assign (resid 92 and name HB2) (resid 93 and name HG12) 3.65 1.85 1.85 ! 0.5049 1634:20 Ambig 4.36, 5.04 A or (resid 57 and name HD1) (resid 93 and name HG12) ! 0.2913 1634:20 ----- 4.78, 5.10 A or (resid 90 and name HA) (resid 93 and name HG12) ! 0.1793 1634:20 ----- 5.19, 5.39 A assign (resid 25 and name HA) (resid 61 and name HB1) 3.65 1.85 1.85 ! 0.9718 1635:20 Long 3.08, 3.45 A assign (resid 25 and name HA) (resid 61 and name HB2) 3.65 1.85 1.85 ! 0.6026 1637:20 Ambig 4.36, 4.81 A or (resid 62 and name HB2) (resid 61 and name HB2) ! 0.3915 1637:20 ----- 4.69, 5.31 A assign (resid 125 and name HD*) (resid 125 and name HB1) 2.65 0.85 0.85 ! 0.0000 1638:20 Intra 2.84, 3.60 A assign (resid 106 and name HA) (resid 106 and name HB) 2.30 0.50 0.50 ! 0.9992 1639:20 Intra 2.43, 2.46 A assign (resid 64 and name HA) (resid 84 and name HB*) 3.65 1.85 1.85 ! 0.8086 1640:20 Ambig 3.52, 5.08 A or (resid 85 and name HA) (resid 84 and name HB*) ! 0.1882 1640:20 ----- 4.49, 4.92 A assign (resid 110 and name HA) (resid 110 and name HB*) 2.30 0.50 0.50 ! 0.9936 1641:20 Intra 2.43, 2.76 A assign (resid 46 and name HA) (resid 46 and name HB2) 2.65 0.85 0.85 ! 0.0000 1642:20 Intra 2.38, 2.42 A assign (resid 125 and name HD*) (resid 125 and name HB2) 2.65 0.85 0.85 ! 0.0000 1643:20 Intra 2.88, 3.76 A assign (resid 73 and name HB*) (resid 78 and name HB2) 3.15 1.35 1.35 ! 0.0000 1644:20 Long 1.86, 2.77 A assign (resid 46 and name HA) (resid 49 and name HB) 3.15 1.35 1.35 ! 0.0000 1645:20 Mid 2.42, 2.60 A assign (resid 106 and name HA) (resid 109 and name HB*) 2.65 0.85 0.85 ! 0.9757 1646:20 Mid 2.27, 3.35 A assign (resid 57 and name HD2) (resid 93 and name HG11) 3.65 1.85 1.85 ! 0.7876 1647:20 Ambig 4.85, 5.01 A or (resid 73 and name HB*) (resid 75 and name HB1) ! 0.2124 1647:20 ----- 6.03, 7.66 A assign (resid 25 and name HA) (resid 25 and name HD*) 3.15 1.35 1.35 ! 0.9435 1648:20 Intra 2.19, 4.43 A assign (resid 109 and name HA) (resid 109 and name HB*) 2.65 0.85 0.85 ! 0.0000 1649:20 Intra 2.47, 2.76 A assign (resid 85 and name HA) (resid 85 and name HG1) 3.15 1.35 1.35 ! 0.9531 1650:20 Intra 3.72, 3.77 A assign (resid 85 and name HA) (resid 85 and name HG2) 3.15 1.35 1.35 ! 0.9718 1651:20 Intra 3.71, 3.77 A assign (resid 44 and name HA) (resid 45 and name HB2) 3.65 1.85 1.85 ! 0.0000 1652:20 Seq 4.25, 4.42 A assign (resid 35 and name HA) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.0000 1653:20 Intra 2.38, 2.76 A assign (resid 85 and name HA) (resid 88 and name HD2) 3.15 1.35 1.35 ! 0.9923 1654:20 Mid 2.11, 2.49 A assign (resid 24 and name HA) (resid 24 and name HG11) 3.15 1.35 1.35 ! 0.9947 1655:20 Intra 2.98, 3.02 A assign (resid 72 and name HA) (resid 72 and name HD*) 3.15 1.35 1.35 ! 0.7961 1656:20 Ambig 2.64, 4.18 A or (resid 74 and name HB1) (resid 72 and name HD*) ! 0.0650 1656:20 ----- 4.01, 7.48 A or (resid 77 and name HA2) (resid 72 and name HD*) ! 0.0564 1656:20 ----- 4.11, 5.11 A assign (resid 67 and name HD*) (resid 18 and name HB2) 3.65 1.85 1.85 ! 0.0000 1657:20 Long 3.08, 3.89 A assign (resid 18 and name HD1) (resid 18 and name HB2) 3.65 1.85 1.85 ! 0.9237 1658:20 Intra 3.84, 3.90 A assign (resid 93 and name HA) (resid 93 and name HG12) 3.15 1.35 1.35 ! 0.0000 1659:20 Intra 2.48, 2.52 A assign (resid 91 and name HA) (resid 91 and name HG11) 3.65 1.85 1.85 ! 0.0000 1660:20 Intra 3.78, 3.81 A assign (resid 91 and name HA) (resid 91 and name HG12) 3.65 1.85 1.85 ! 0.9987 1661:20 Intra 3.18, 3.23 A assign (resid 24 and name HA) (resid 24 and name HG12) 3.65 1.85 1.85 ! 0.9993 1662:20 Intra 2.54, 2.57 A assign (resid 51 and name HE*) (resid 51 and name HB*) 3.15 1.35 1.35 ! 0.9994 1663:20 Intra 2.10, 3.61 A assign (resid 55 and name HD*) (resid 55 and name HB1) 3.15 1.35 1.35 ! 0.9268 1664:20 Intra 2.33, 3.04 A assign (resid 89 and name HE*) (resid 89 and name HB1) 3.15 1.35 1.35 ! 0.0000 1665:20 Intra 2.90, 3.77 A assign (resid 48 and name HG1) (resid 48 and name HB1) 3.15 1.35 1.35 ! 0.9941 1666:20 Intra 2.48, 2.98 A assign (resid 48 and name HG1) (resid 48 and name HB2) 3.15 1.35 1.35 ! 0.9944 1667:20 Intra 2.33, 2.38 A assign (resid 11 and name HE*) (resid 11 and name HB*) 3.15 1.35 1.35 ! 0.9666 1669:20 Intra 2.06, 4.01 A assign (resid 88 and name HE2) (resid 81 and name HB) 2.65 0.85 0.85 ! 0.8915 1670:20 Ambig 2.97, 3.32 A or (resid 101 and name HB1) (resid 81 and name HB) ! 0.0791 1670:20 ----- 4.44, 4.71 A assign (resid 55 and name HD*) (resid 55 and name HB2) 2.65 0.85 0.85 ! 0.9997 1671:20 Intra 2.38, 2.85 A assign (resid 18 and name HD2) (resid 18 and name HB1) 3.65 1.85 1.85 ! 0.9635 1672:20 Intra 3.84, 3.89 A assign (resid 127 and name HD*) (resid 127 and name HB2) 2.65 0.85 0.85 ! 0.0000 1673:20 Intra 2.36, 3.23 A assign (resid 113 and name HD*) (resid 113 and name HB*) 2.65 0.85 0.85 ! 0.9997 1674:20 Intra 2.30, 3.25 A assign (resid 33 and name HE*) (resid 43 and name HB2) 4.15 2.35 2.35 ! 0.9570 1676:20 Long 2.43, 6.90 A assign (resid 89 and name HE*) (resid 89 and name HD*) 2.30 0.50 0.50 ! 0.0000 1677:20 Intra 2.32, 2.63 A assign (resid 89 and name HE*) (resid 85 and name HG1) 3.15 1.35 1.35 ! 0.0000 1678:20 Mid 3.94, 4.95 A assign (resid 48 and name HG1) (resid 45 and name HB2) 3.65 1.85 1.85 ! 0.9940 1679:20 Mid 2.51, 2.77 A assign (resid 35 and name HD1) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.9995 1680:20 Intra 2.50, 3.57 A assign (resid 108 and name HA) (resid 108 and name HB) 2.65 0.85 0.85 ! 0.7971 1681:20 Ambig 3.03, 3.04 A or (resid 105 and name HB*) (resid 108 and name HB) ! 0.1408 1681:20 ----- 4.05, 5.12 A assign (resid 35 and name HD2) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.9956 1682:20 Intra 2.42, 3.00 A assign (resid 26 and name HB2) (resid 31 and name HB2) 3.65 1.85 1.85 ! 0.9923 1683:20 Long 3.38, 3.57 A assign (resid 11 and name HE*) (resid 11 and name HD*) 2.30 0.50 0.50 ! 0.0000 1684:20 Intra 2.33, 2.68 A assign (resid 72 and name HE*) (resid 72 and name HD*) 2.30 0.50 0.50 ! 0.0000 1685:20 Intra 2.31, 2.66 A assign (resid 33 and name HE*) (resid 33 and name HD*) 2.65 0.85 0.85 ! 0.6745 1686:20 Ambig 2.37, 2.70 A or (resid 41 and name HB2) (resid 33 and name HD*) ! 0.3249 1686:20 ----- 2.68, 3.84 A assign (resid 21 and name HB2) (resid 65 and name HD*) 3.15 1.35 1.35 ! 0.0000 1687:20 Long 2.25, 3.31 A assign (resid 51 and name HE*) (resid 114 and name HB2) 3.65 1.85 1.85 ! 0.7178 1688:20 Ambig 4.91, 6.41 A or (resid 115 and name HB2) (resid 114 and name HB2) ! 0.2822 1688:20 ----- 5.73, 5.90 A assign (resid 18 and name HD2) (resid 18 and name HB2) 3.65 1.85 1.85 ! 0.9847 1689:20 Intra 2.88, 3.04 A assign (resid 24 and name HB) (resid 61 and name HB1) 3.65 1.85 1.85 ! 0.0000 1690:20 Long 2.49, 2.69 A assign (resid 25 and name HD*) (resid 61 and name HB1) 3.65 1.85 1.85 ! 0.8650 1691:20 Ambig 2.80, 4.60 A or (resid 25 and name HB1) (resid 61 and name HB1) ! 0.1155 1691:20 ----- 3.92, 4.52 A assign (resid 34 and name HB) (resid 42 and name HB*) 3.65 1.85 1.85 ! 0.6821 1692:20 Ambig 4.82, 5.78 A or (resid 43 and name HG2) (resid 42 and name HB*) ! 0.1281 1692:20 ----- 6.37, 7.06 A or (resid 67 and name HB1) (resid 42 and name HB*) ! 0.1166 1692:20 ----- 6.47, 7.22 A assign (resid 24 and name HB) (resid 61 and name HB2) 3.65 1.85 1.85 ! 0.9951 1693:20 Long 3.95, 4.10 A assign (resid 138 and name HB*) (resid 138 and name HG1) 2.65 0.85 0.85 ! 0.0000 1694:20 Intra 2.28, 2.69 A assign (resid 138 and name HB*) (resid 138 and name HG2) 2.65 0.85 0.85 ! 0.0000 1695:20 Intra 2.34, 2.55 A assign (resid 84 and name HG*) (resid 84 and name HB*) 2.30 0.50 0.50 ! 0.9992 1697:20 Intra 2.31, 2.66 A assign (resid 134 and name HG2) (resid 134 and name HB1) 2.30 0.50 0.50 ! 0.2722 1699:20 Ambig 2.30, 2.46 A or (resid 132 and name HG2) (resid 132 and name HB2) ! 0.2580 1699:20 ----- 2.32, 2.71 A or (resid 131 and name HG2) (resid 131 and name HB*) ! 0.2504 1699:20 ----- 2.33, 2.72 A or (resid 137 and name HG2) (resid 137 and name HB1) ! 0.1595 1699:20 ----- 2.51, 2.89 A assign (resid 43 and name HG1) (resid 43 and name HB1) 2.65 0.85 0.85 ! 0.9988 1701:20 Intra 2.97, 3.00 A assign (resid 43 and name HG1) (resid 43 and name HB2) 2.65 0.85 0.85 ! 0.8056 1702:20 Ambig 2.36, 2.42 A or (resid 22 and name HB) (resid 31 and name HB1) ! 0.1925 1702:20 ----- 2.99, 3.36 A assign (resid 75 and name HG*) (resid 75 and name HB1) 2.30 0.50 0.50 ! 0.3838 1703:20 Ambig 2.28, 2.69 A or (resid 98 and name HG2) (resid 98 and name HB1) ! 0.3148 1703:20 ----- 2.36, 2.54 A or (resid 98 and name HG1) (resid 98 and name HB1) ! 0.2795 1703:20 ----- 2.41, 2.74 A assign (resid 48 and name HG2) (resid 45 and name HB2) 3.65 1.85 1.85 ! 0.9997 1704:20 Mid 2.50, 4.34 A assign (resid 85 and name HB1) (resid 85 and name HG2) 2.65 0.85 0.85 ! 0.9865 1706:20 Intra 2.41, 2.48 A assign (resid 20 and name HG1) (resid 35 and name HB*) 3.65 1.85 1.85 ! 0.0000 1707:20 Long 3.08, 4.06 A assign (resid 20 and name HG2) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.9633 1708:20 Long 2.04, 2.83 A assign (resid 88 and name HB2) (resid 88 and name HD2) 2.30 0.50 0.50 ! 0.7812 1709:20 Ambig 2.40, 2.46 A or (resid 88 and name HB1) (resid 88 and name HD2) ! 0.1973 1709:20 ----- 3.02, 3.10 A assign (resid 114 and name HG1) (resid 114 and name HB1) 2.65 0.85 0.85 ! 0.9329 1710:20 Intra 2.42, 2.47 A assign (resid 114 and name HG1) (resid 114 and name HB2) 2.65 0.85 0.85 ! 0.8650 1711:20 Ambig 2.99, 3.00 A or (resid 110 and name HB*) (resid 114 and name HB2) ! 0.1097 1711:20 ----- 4.22, 5.20 A assign (resid 114 and name HG2) (resid 114 and name HB2) 3.15 1.35 1.35 ! 0.9209 1712:20 Intra 2.41, 2.46 A assign (resid 24 and name HB) (resid 24 and name HG12) 3.65 1.85 1.85 ! 0.9913 1716:20 Intra 3.02, 3.02 A assign (resid 25 and name HG*) (resid 61 and name HB1) 3.65 1.85 1.85 ! 0.9960 1717:20 Long 1.87, 3.60 A assign (resid 34 and name HG12) (resid 42 and name HB*) 3.65 1.85 1.85 ! 0.5202 1719:20 Ambig 3.89, 4.92 A or (resid 67 and name HG2) (resid 42 and name HB*) ! 0.2335 1719:20 ----- 4.44, 5.31 A or (resid 33 and name HG1) (resid 42 and name HB*) ! 0.1163 1719:20 ----- 4.99, 6.10 A or (resid 36 and name HB2) (resid 42 and name HB*) ! 0.0680 1719:20 ----- 5.46, 5.99 A assign (resid 34 and name HG11) (resid 42 and name HB*) 3.65 1.85 1.85 ! 0.9954 1720:20 Long 2.80, 4.01 A assign (resid 36 and name HD1*) (resid 42 and name HB*) 3.15 1.35 1.35 ! 0.9809 1721:20 Long 2.37, 4.41 A assign (resid 25 and name HG*) (resid 61 and name HB2) 3.65 1.85 1.85 ! 0.9912 1723:20 Long 2.37, 4.15 A assign (resid 51 and name HG*) (resid 51 and name HB*) 2.30 0.50 0.50 ! 0.9983 1726:20 Intra 2.27, 2.71 A assign (resid 64 and name HG2*) (resid 89 and name HB1) 3.65 1.85 1.85 ! 0.7787 1727:20 Ambig 4.38, 5.08 A or (resid 63 and name HB1) (resid 89 and name HB1) ! 0.0779 1727:20 ----- 6.43, 6.65 A or (resid 93 and name HG12) (resid 89 and name HB1) ! 0.0722 1727:20 ----- 6.52, 6.72 A assign (resid 106 and name HG1*) (resid 106 and name HB) 2.30 0.50 0.50 ! 0.4994 1728:20 Ambig 2.38, 2.62 A or (resid 106 and name HG2*) (resid 106 and name HB) ! 0.4934 1728:20 ----- 2.38, 2.63 A assign (resid 85 and name HG2) (resid 84 and name HB*) 3.15 1.35 1.35 ! 0.0000 1729:20 Seq 2.74, 3.85 A assign (resid 11 and name HG*) (resid 11 and name HB*) 2.30 0.50 0.50 ! 0.5259 1730:20 Ambig 2.29, 2.67 A or (resid 46 and name HG2) (resid 46 and name HB2) ! 0.3267 1730:20 ----- 2.48, 2.98 A or (resid 8 and name HG11) (resid 11 and name HB*) ! 0.1234 1730:20 ----- 2.91, 8.30 A assign (resid 88 and name HG1) (resid 81 and name HB) 3.15 1.35 1.35 ! 0.5724 1731:20 Ambig 3.76, 4.17 A or (resid 99 and name HG1*) (resid 81 and name HB) ! 0.4276 1731:20 ----- 3.94, 4.46 A assign (resid 127 and name HG*) (resid 127 and name HB1) 2.30 0.50 0.50 ! 0.9525 1733:20 Intra 2.33, 2.68 A assign (resid 25 and name HB2) (resid 25 and name HD*) 2.30 0.50 0.50 ! 0.5173 1734:20 Ambig 2.37, 2.96 A or (resid 89 and name HG1) (resid 89 and name HD*) ! 0.4101 1734:20 ----- 2.46, 2.76 A assign (resid 19 and name HB*) (resid 35 and name HB*) 2.65 0.85 0.85 ! 0.9995 1737:20 Long 2.12, 4.68 A assign (resid 11 and name HG*) (resid 11 and name HD*) 2.30 0.50 0.50 ! 0.0000 1738:20 Intra 2.37, 2.67 A assign (resid 65 and name HG1) (resid 65 and name HD*) 2.30 0.50 0.50 ! 0.8963 1739:20 Ambig 2.41, 2.74 A or (resid 121 and name HG2*) (resid 72 and name HD*) ! 0.0977 1739:20 ----- 3.49, 5.39 A assign (resid 24 and name HG12) (resid 61 and name HB1) 4.15 2.35 2.35 ! 0.4317 1743:20 Ambig 5.43, 5.65 A or (resid 56 and name HD1*) (resid 61 and name HB1) ! 0.2113 1743:20 ----- 6.12, 7.30 A or (resid 49 and name HG1*) (resid 61 and name HB1) ! 0.1659 1743:20 ----- 6.37, 6.85 A or (resid 63 and name HB2) (resid 61 and name HB1) ! 0.0826 1743:20 ----- 7.16, 7.28 A or (resid 64 and name HG1*) (resid 61 and name HB1) ! 0.0470 1743:20 ----- 7.86, 8.54 A assign (resid 24 and name HD1*) (resid 61 and name HB1) 4.15 2.35 2.35 ! 0.8930 1744:20 Ambig 4.16, 5.11 A or (resid 58 and name HG) (resid 61 and name HB1) ! 0.1070 1744:20 ----- 5.92, 7.31 A assign (resid 34 and name HD1*) (resid 42 and name HB*) 3.15 1.35 1.35 ! 0.9863 1745:20 Long 2.03, 3.29 A assign (resid 36 and name HD2*) (resid 42 and name HB*) 3.15 1.35 1.35 ! 0.0000 1746:20 Long 2.29, 3.66 A assign (resid 56 and name HD1*) (resid 61 and name HB2) 3.65 1.85 1.85 ! 0.2748 1747:20 Ambig 6.43, 7.46 A or (resid 63 and name HB2) (resid 61 and name HB2) ! 0.2550 1747:20 ----- 6.51, 6.65 A or (resid 24 and name HG12) (resid 61 and name HB2) ! 0.1900 1747:20 ----- 6.84, 7.00 A or (resid 60 and name HG) (resid 61 and name HB2) ! 0.1641 1747:20 ----- 7.01, 7.13 A or (resid 49 and name HG1*) (resid 61 and name HB2) ! 0.0715 1747:20 ----- 8.05, 8.54 A assign (resid 24 and name HD1*) (resid 61 and name HB2) 3.65 1.85 1.85 ! 0.9511 1748:20 Long 4.95, 5.96 A assign (resid 139 and name HD2*) (resid 138 and name HG1) 3.65 1.85 1.85 ! 0.6970 1749:20 Ambig 2.38, 4.12 A or (resid 135 and name HD1*) (resid 138 and name HG1) ! 0.2298 1749:20 ----- 2.87, 6.82 A assign (resid 139 and name HD2*) (resid 138 and name HG2) 3.15 1.35 1.35 ! 0.6615 1750:20 Ambig 2.46, 5.01 A or (resid 135 and name HD1*) (resid 138 and name HG2) ! 0.2197 1750:20 ----- 2.96, 6.14 A or (resid 135 and name HD2*) (resid 138 and name HG2) ! 0.1034 1750:20 ----- 3.35, 5.59 A assign (resid 60 and name HD2*) (resid 89 and name HB1) 2.65 0.85 0.85 ! 0.8125 1751:20 Ambig 3.61, 4.65 A or (resid 93 and name HD1*) (resid 89 and name HB1) ! 0.1875 1751:20 ----- 4.61, 5.47 A assign (resid 118 and name HD1*) (resid 48 and name HB1) 3.15 1.35 1.35 ! 0.7846 1752:20 Ambig 2.76, 3.72 A or (resid 118 and name HD2*) (resid 48 and name HB1) ! 0.1808 1752:20 ----- 3.52, 4.60 A assign (resid 118 and name HD2*) (resid 48 and name HB2) 3.15 1.35 1.35 ! 0.6571 1753:20 Ambig 2.36, 3.58 A or (resid 118 and name HD1*) (resid 48 and name HB2) ! 0.2468 1753:20 ----- 2.77, 3.89 A assign (resid 81 and name HG1*) (resid 81 and name HB) 2.30 0.50 0.50 ! 0.9989 1754:20 Intra 2.41, 2.66 A assign (resid 99 and name HG2*) (resid 88 and name HB1) 2.30 0.50 0.50 ! 0.4105 1755:20 Ambig 2.16, 2.95 A or (resid 99 and name HG2*) (resid 81 and name HB) ! 0.3473 1755:20 ----- 2.22, 3.17 A or (resid 81 and name HG2*) (resid 81 and name HB) ! 0.2319 1755:20 ----- 2.37, 2.64 A assign (resid 34 and name HD1*) (resid 18 and name HB1) 2.30 0.50 0.50 ! 0.8344 1756:20 Ambig 1.99, 3.13 A or (resid 18 and name HG2) (resid 18 and name HB1) ! 0.1480 1756:20 ----- 2.66, 2.70 A assign (resid 99 and name HG2*) (resid 88 and name HB1) 2.30 0.50 0.50 ! 0.4846 1757:20 Ambig 2.16, 2.95 A or (resid 49 and name HG1*) (resid 49 and name HB) ! 0.2625 1757:20 ----- 2.39, 2.64 A or (resid 49 and name HG2*) (resid 49 and name HB) ! 0.2388 1757:20 ----- 2.43, 2.63 A assign (resid 28 and name HD2*) (resid 49 and name HB) 3.15 1.35 1.35 ! 0.9580 1758:20 Long 2.87, 3.89 A assign (resid 22 and name HG1*) (resid 31 and name HB1) 2.65 0.85 0.85 ! 0.9547 1759:20 Long 1.97, 2.96 A assign (resid 95 and name HD2*) (resid 110 and name HD*) 2.30 0.50 0.50 ! 0.9614 1761:20 Long 2.10, 3.85 A assign (resid 93 and name HD1*) (resid 93 and name HG11) 2.30 0.50 0.50 ! 0.9845 1762:20 Intra 2.41, 2.62 A assign (resid 60 and name HD2*) (resid 89 and name HD*) 2.30 0.50 0.50 ! 0.9121 1763:20 Long 2.03, 3.50 A assign (resid 35 and name HG*) (resid 35 and name HB*) 2.65 0.85 0.85 ! 0.9990 1764:20 Intra 2.32, 2.72 A assign (resid 108 and name HG1*) (resid 108 and name HB) 2.65 0.85 0.85 ! 0.9957 1765:20 Intra 2.44, 2.65 A assign (resid 22 and name HG1*) (resid 31 and name HB2) 2.65 0.85 0.85 ! 0.7363 1766:20 Ambig 2.75, 3.96 A or (resid 22 and name HG2*) (resid 31 and name HB2) ! 0.2574 1766:20 ----- 3.28, 4.63 A assign (resid 123 and name HD2*) (resid 72 and name HD*) 2.65 0.85 0.85 ! 0.9231 1767:20 Long 2.50, 3.68 A assign (resid 18 and name HG2) (resid 18 and name HB2) 2.65 0.85 0.85 ! 0.8015 1769:20 Ambig 2.28, 2.34 A or (resid 69 and name HD1*) (resid 18 and name HB2) ! 0.1267 1769:20 ----- 3.10, 4.43 A assign (resid 36 and name HD2*) (resid 18 and name HB2) 3.65 1.85 1.85 ! 0.6399 1770:20 Ambig 4.65, 5.53 A or (resid 94 and name HD1*) (resid 114 and name HB1) ! 0.1850 1770:20 ----- 5.72, 7.01 A or (resid 52 and name HD1*) (resid 114 and name HB1) ! 0.1033 1770:20 ----- 6.30, 7.48 A assign (resid 94 and name HD1*) (resid 91 and name HG12) 3.15 1.35 1.35 ! 0.8598 1771:20 Ambig 4.19, 5.43 A or (resid 103 and name HG2*) (resid 91 and name HG12) ! 0.0955 1771:20 ----- 6.04, 6.82 A assign (resid 91 and name HD1*) (resid 91 and name HG11) 3.15 1.35 1.35 ! 0.9994 1772:20 Intra 2.40, 2.62 A assign (resid 91 and name HD1*) (resid 91 and name HG12) 3.15 1.35 1.35 ! 0.0000 1773:20 Intra 2.40, 2.61 A assign (resid 24 and name HG2*) (resid 61 and name HB1) 3.15 1.35 1.35 ! 0.7565 1774:20 Ambig 3.00, 4.05 A or (resid 28 and name HD1*) (resid 61 and name HB1) ! 0.2412 1774:20 ----- 3.63, 4.70 A assign (resid 24 and name HG2*) (resid 61 and name HB2) 3.65 1.85 1.85 ! 0.5913 1775:20 Ambig 4.65, 5.57 A or (resid 28 and name HD1*) (resid 61 and name HB2) ! 0.4087 1775:20 ----- 4.95, 6.02 A assign (resid 24 and name HG2*) (resid 49 and name HB) 3.65 1.85 1.85 ! 0.6140 1776:20 Ambig 4.72, 5.63 A or (resid 28 and name HD1*) (resid 49 and name HB) ! 0.3157 1776:20 ----- 5.28, 6.17 A assign (resid 28 and name HD1*) (resid 25 and name HD*) 3.65 1.85 1.85 ! 0.7785 1777:20 Ambig 3.54, 7.23 A or (resid 58 and name HD2*) (resid 25 and name HD*) ! 0.2215 1777:20 ----- 4.37, 7.31 A assign (resid 108 and name HG2*) (resid 108 and name HB) 2.65 0.85 0.85 ! 0.0000 1778:20 Intra 2.41, 2.62 A assign (resid 71 and name HN) (resid 71 and name HG11) 3.65 1.85 1.85 ! 0.9970 1781:20 Intra 3.63, 3.76 A assign (resid 66 and name HN) (resid 65 and name HG2) 3.65 1.85 1.85 ! 0.0000 1782:20 Seq 4.07, 4.39 A assign (resid 71 and name HN) (resid 71 and name HG12) 3.65 1.85 1.85 ! 0.0000 1783:20 Intra 2.15, 2.30 A assign (resid 66 and name HN) (resid 66 and name HG11) 3.15 1.35 1.35 ! 0.0000 1784:20 Intra 2.80, 2.87 A assign (resid 66 and name HN) (resid 65 and name HG1) 3.65 1.85 1.85 ! 0.0000 1785:20 Seq 4.55, 4.95 A assign (resid 66 and name HN) (resid 66 and name HG12) 3.15 1.35 1.35 ! 0.0000 1790:20 Intra 1.94, 2.01 A assign (resid 50 and name HN) (resid 50 and name HB*) 3.15 1.35 1.35 ! 0.0000 1792:20 Intra 2.45, 3.05 A assign (resid 103 and name HN) (resid 104 and name HG) 4.15 2.35 2.35 ! 0.5611 1793:20 Ambig 5.71, 6.14 A or (resid 79 and name HN) (resid 104 and name HG) ! 0.4389 1793:20 ----- 5.94, 6.30 A assign (resid 72 and name HN) (resid 71 and name HG11) 3.65 1.85 1.85 ! 0.6137 1794:20 Ambig 5.55, 5.64 A or (resid 122 and name HN) (resid 71 and name HG11) ! 0.3240 1794:20 ----- 6.17, 6.35 A assign (resid 122 and name HN) (resid 122 and name HG11) 3.15 1.35 1.35 ! 0.9204 1795:20 Intra 3.81, 3.93 A assign (resid 70 and name HN) (resid 121 and name HG11) 3.65 1.85 1.85 ! 0.5522 1796:20 Ambig 4.51, 4.76 A or (resid 70 and name HN) (resid 122 and name HG11) ! 0.4478 1796:20 ----- 4.67, 4.94 A assign (resid 70 and name HN) (resid 69 and name HG11) 3.15 1.35 1.35 ! 0.0000 1798:20 Seq 4.06, 4.22 A assign (resid 41 and name HN) (resid 36 and name HG) 3.65 1.85 1.85 ! 0.0000 1799:20 Long 4.28, 4.49 A assign (resid 34 and name HN) (resid 34 and name HG11) 3.15 1.35 1.35 ! 0.9997 1800:20 Intra 2.06, 2.13 A assign (resid 100 and name HN) (resid 99 and name HG1*) 3.65 1.85 1.85 ! 0.8738 1801:20 Ambig 3.96, 4.81 A or (resid 120 and name HN) (resid 69 and name HG12) ! 0.0985 1801:20 ----- 5.70, 5.89 A assign (resid 70 and name HN) (resid 69 and name HG12) 3.65 1.85 1.85 ! 0.0000 1802:20 Seq 5.06, 5.18 A assign (resid 45 and name HN) (resid 45 and name HG*) 3.15 1.35 1.35 ! 0.9628 1804:20 Intra 4.09, 4.23 A assign (resid 122 and name HN) (resid 122 and name HG12) 3.65 1.85 1.85 ! 0.9920 1805:20 Intra 2.39, 2.53 A assign (resid 122 and name HN) (resid 121 and name HG12) 3.65 1.85 1.85 ! 0.8613 1806:20 Ambig 4.10, 4.29 A or (resid 72 and name HN) (resid 121 and name HG12) ! 0.1192 1806:20 ----- 5.71, 6.02 A assign (resid 68 and name HN) (resid 119 and name HG11) 3.65 1.85 1.85 ! 0.5485 1807:20 Ambig 4.34, 4.44 A or (resid 120 and name HN) (resid 119 and name HG11) ! 0.2786 1807:20 ----- 4.86, 4.95 A or (resid 120 and name HN) (resid 121 and name HG12) ! 0.1637 1807:20 ----- 5.31, 5.48 A assign (resid 34 and name HN) (resid 44 and name HG1*) 4.15 2.35 2.35 ! 0.9845 1808:20 Long 3.15, 4.25 A assign (resid 44 and name HN) (resid 44 and name HG1*) 3.15 1.35 1.35 ! 0.9991 1809:20 Intra 2.31, 3.16 A assign (resid 53 and name HN) (resid 52 and name HG) 3.15 1.35 1.35 ! 0.9791 1810:20 Seq 3.26, 3.37 A assign (resid 34 and name HN) (resid 34 and name HG12) 3.15 1.35 1.35 ! 0.9748 1811:20 Intra 3.66, 3.73 A assign (resid 34 and name HN) (resid 33 and name HG2) 3.15 1.35 1.35 ! 0.0000 1812:20 Seq 3.32, 3.59 A assign (resid 61 and name HE1) (resid 56 and name HG11) 3.65 1.85 1.85 ! 0.0000 1813:20 Long 5.44, 5.51 A assign (resid 44 and name HN) (resid 33 and name HG2) 4.15 2.35 2.35 ! 0.6631 1814:20 Ambig 5.84, 6.27 A or (resid 36 and name HN) (resid 33 and name HG2) ! 0.3369 1814:20 ----- 6.54, 6.84 A assign (resid 68 and name HN) (resid 118 and name HD1*) 3.65 1.85 1.85 ! 0.7795 1815:20 Ambig 5.57, 6.45 A or (resid 34 and name HN) (resid 35 and name HG*) ! 0.1712 1815:20 ----- 7.17, 7.64 A assign (resid 37 and name HN) (resid 35 and name HG*) 3.65 1.85 1.85 ! 0.4549 1817:20 Ambig 5.01, 5.92 A or (resid 41 and name HN) (resid 35 and name HG*) ! 0.3478 1817:20 ----- 5.23, 6.11 A or (resid 53 and name HN) (resid 118 and name HD1*) ! 0.1973 1817:20 ----- 5.75, 6.44 A assign (resid 112 and name HN) (resid 111 and name HD1*) 3.65 1.85 1.85 ! 0.8054 1818:20 Ambig 4.87, 5.57 A or (resid 112 and name HN) (resid 95 and name HD1*) ! 0.1545 1818:20 ----- 6.41, 8.08 A assign (resid 44 and name HN) (resid 32 and name HG) 3.65 1.85 1.85 ! 0.9644 1819:20 Long 5.32, 5.51 A assign (resid 50 and name HN) (resid 118 and name HD2*) 3.65 1.85 1.85 ! 0.6603 1820:20 Ambig 5.50, 6.91 A or (resid 44 and name HN) (resid 118 and name HD2*) ! 0.3397 1820:20 ----- 6.15, 6.74 A assign (resid 45 and name HN) (resid 118 and name HD2*) 3.15 1.35 1.35 ! 0.9970 1821:20 Long 3.23, 3.96 A assign (resid 103 and name HN) (resid 103 and name HG11) 3.65 1.85 1.85 ! 0.7138 1823:20 Ambig 2.81, 2.82 A or (resid 79 and name HN) (resid 103 and name HG11) ! 0.2851 1823:20 ----- 3.27, 3.52 A assign (resid 53 and name HN) (resid 52 and name HD2*) 3.65 1.85 1.85 ! 0.7178 1824:20 Ambig 4.02, 4.86 A or (resid 53 and name HN) (resid 52 and name HD1*) ! 0.2822 1824:20 ----- 4.70, 5.27 A assign (resid 53 and name HN) (resid 28 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1825:20 Long 4.44, 5.93 A assign (resid 95 and name HN) (resid 95 and name HG) 3.15 1.35 1.35 ! 0.0000 1826:20 Intra 2.53, 2.69 A assign (resid 96 and name HN) (resid 95 and name HG) 4.15 2.35 2.35 ! 0.6066 1827:20 Ambig 4.31, 4.45 A or (resid 94 and name HN) (resid 95 and name HG) ! 0.3762 1827:20 ----- 4.67, 4.84 A assign (resid 111 and name HN) (resid 111 and name HG) 3.15 1.35 1.35 ! 0.9995 1828:20 Intra 2.21, 2.35 A assign (resid 89 and name HN) (resid 89 and name HG1) 3.65 1.85 1.85 ! 0.5715 1831:20 Ambig 4.35, 4.46 A or (resid 90 and name HN) (resid 89 and name HG1) ! 0.3910 1831:20 ----- 4.64, 4.79 A assign (resid 93 and name HN) (resid 89 and name HG1) 4.15 2.35 2.35 ! 0.9632 1832:20 Mid 4.97, 5.23 A assign (resid 65 and name HN) (resid 65 and name HG2) 3.15 1.35 1.35 ! 0.9663 1833:20 Intra 2.89, 3.92 A assign (resid 90 and name HN) (resid 89 and name HG2) 3.65 1.85 1.85 ! 0.6979 1834:20 Ambig 3.66, 3.87 A or (resid 89 and name HN) (resid 89 and name HG2) ! 0.2316 1834:20 ----- 4.40, 4.46 A assign (resid 111 and name HN) (resid 110 and name HG2) 3.65 1.85 1.85 ! 0.0000 1835:20 Seq 4.72, 4.86 A assign (resid 52 and name HN) (resid 51 and name HG*) 3.15 1.35 1.35 ! 0.9995 1836:20 Seq 2.09, 2.80 A assign (resid 51 and name HN) (resid 51 and name HG*) 3.65 1.85 1.85 ! 0.9798 1837:20 Intra 1.90, 2.57 A assign (resid 52 and name HN) (resid 52 and name HG) 3.65 1.85 1.85 ! 0.4321 1838:20 Ambig 4.39, 4.44 A or (resid 81 and name HN) (resid 88 and name HG2) ! 0.3085 1838:20 ----- 4.64, 4.93 A or (resid 101 and name HN) (resid 88 and name HG2) ! 0.1734 1838:20 ----- 5.11, 6.30 A assign (resid 92 and name HN) (resid 99 and name HG1*) 3.65 1.85 1.85 ! 0.7559 1839:20 Ambig 3.79, 4.78 A or (resid 82 and name HN) (resid 88 and name HG2) ! 0.1921 1839:20 ----- 4.76, 5.10 A assign (resid 91 and name HN) (resid 99 and name HG1*) 3.65 1.85 1.85 ! 0.8126 1840:20 Ambig 4.57, 5.78 A or (resid 91 and name HN) (resid 88 and name HG2) ! 0.1874 1840:20 ----- 5.84, 6.01 A assign (resid 65 and name HN) (resid 65 and name HG1) 3.65 1.85 1.85 ! 0.9850 1841:20 Intra 2.44, 2.89 A assign (resid 65 and name HN) (resid 64 and name HG2*) 3.15 1.35 1.35 ! 0.7094 1842:20 Ambig 4.15, 4.90 A or (resid 61 and name HN) (resid 64 and name HG2*) ! 0.1967 1842:20 ----- 5.14, 6.08 A assign (resid 90 and name HN) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.8464 1843:20 Ambig 3.75, 4.38 A or (resid 89 and name HN) (resid 64 and name HG2*) ! 0.1323 1843:20 ----- 5.11, 6.03 A assign (resid 52 and name HN) (resid 118 and name HD1*) 3.65 1.85 1.85 ! 0.9800 1844:20 Long 4.39, 5.26 A assign (resid 39 and name HN) (resid 35 and name HG*) 3.65 1.85 1.85 ! 0.9566 1845:20 Mid 3.27, 3.97 A assign (resid 111 and name HN) (resid 111 and name HD1*) 3.15 1.35 1.35 ! 0.4646 1847:20 Ambig 3.85, 4.43 A or (resid 111 and name HN) (resid 95 and name HD1*) ! 0.3122 1847:20 ----- 4.11, 5.77 A or (resid 97 and name HN) (resid 95 and name HD1*) ! 0.1868 1847:20 ----- 4.48, 5.55 A assign (resid 95 and name HN) (resid 95 and name HD1*) 3.65 1.85 1.85 ! 0.6511 1848:20 Ambig 3.92, 4.66 A or (resid 61 and name HN) (resid 60 and name HG) ! 0.2573 1848:20 ----- 4.58, 4.65 A assign (resid 59 and name HN) (resid 60 and name HG) 3.65 1.85 1.85 ! 0.8046 1849:20 Ambig 4.04, 4.09 A or (resid 124 and name HN) (resid 123 and name HD1*) ! 0.1954 1849:20 ----- 5.12, 6.18 A assign (resid 95 and name HN) (resid 94 and name HD1*) 3.65 1.85 1.85 ! 0.9303 1850:20 Seq 4.57, 5.40 A assign (resid 52 and name HN) (resid 52 and name HD1*) 3.15 1.35 1.35 ! 0.4419 1851:20 Ambig 4.69, 5.16 A or (resid 52 and name HN) (resid 52 and name HD2*) ! 0.4299 1851:20 ----- 4.72, 5.19 A or (resid 28 and name HN) (resid 52 and name HD2*) ! 0.0423 1851:20 ----- 6.94, 8.37 A assign (resid 94 and name HN) (resid 94 and name HD1*) 3.15 1.35 1.35 ! 0.8610 1852:20 Ambig 3.83, 4.37 A or (resid 90 and name HN) (resid 94 and name HD1*) ! 0.0580 1852:20 ----- 6.00, 6.78 A assign (resid 94 and name HN) (resid 52 and name HD1*) 3.65 1.85 1.85 ! 0.2522 1853:20 Ambig 6.28, 6.78 A or (resid 87 and name HD21) (resid 52 and name HD2*) ! 0.1752 1853:20 ----- 6.68, 8.33 A or (resid 115 and name HN) (resid 52 and name HD1*) ! 0.1448 1853:20 ----- 6.89, 8.09 A or (resid 90 and name HN) (resid 52 and name HD1*) ! 0.1437 1853:20 ----- 6.90, 8.16 A or (resid 87 and name HD21) (resid 52 and name HD1*) ! 0.1140 1853:20 ----- 7.17, 9.05 A or (resid 115 and name HN) (resid 52 and name HD2*) ! 0.0710 1853:20 ----- 7.76, 9.01 A assign (resid 28 and name HN) (resid 28 and name HD1*) 3.15 1.35 1.35 ! 0.9754 1854:20 Intra 3.69, 4.37 A assign (resid 60 and name HN) (resid 57 and name HG1) 4.15 2.35 2.35 ! 0.9287 1856:20 Mid 5.16, 5.43 A assign (resid 59 and name HD*) (resid 57 and name HG1) 3.65 1.85 1.85 ! 0.0000 1857:20 Mid 3.71, 5.90 A assign (resid 59 and name HD*) (resid 57 and name HG2) 3.65 1.85 1.85 ! 0.0000 1859:20 Mid 3.25, 5.45 A assign (resid 54 and name HN) (resid 55 and name HG1) 3.65 1.85 1.85 ! 0.6152 1860:20 Ambig 3.60, 3.97 A or (resid 56 and name HN) (resid 55 and name HG1) ! 0.2799 1860:20 ----- 4.10, 4.28 A or (resid 49 and name HN) (resid 118 and name HG) ! 0.1033 1860:20 ----- 4.84, 5.05 A assign (resid 56 and name HN) (resid 55 and name HG2) 3.65 1.85 1.85 ! 0.5709 1861:20 Ambig 4.95, 5.04 A or (resid 54 and name HN) (resid 55 and name HG2) ! 0.4291 1861:20 ----- 5.19, 5.53 A assign (resid 60 and name HN) (resid 57 and name HG2) 3.65 1.85 1.85 ! 0.9796 1862:20 Mid 3.67, 3.95 A assign (resid 55 and name HE) (resid 55 and name HG1) 3.65 1.85 1.85 ! 0.9169 1864:20 Intra 2.22, 2.91 A assign (resid 56 and name HN) (resid 56 and name HG12) 3.15 1.35 1.35 ! 0.9320 1865:20 Intra 4.38, 4.41 A assign (resid 86 and name HZ3) (resid 89 and name HG1) 3.65 1.85 1.85 ! 0.6493 1866:20 Ambig 5.62, 5.83 A or (resid 88 and name HN) (resid 89 and name HG1) ! 0.2124 1866:20 ----- 6.77, 6.99 A or (resid 86 and name HH2) (resid 89 and name HG1) ! 0.0840 1866:20 ----- 7.90, 8.13 A assign (resid 70 and name HD*) (resid 119 and name HG12) 2.65 0.85 0.85 ! 0.2632 1867:20 Ambig 3.94, 5.63 A or (resid 119 and name HN) (resid 119 and name HG12) ! 0.2569 1867:20 ----- 3.96, 4.04 A or (resid 14 and name HE*) (resid 71 and name HG11) ! 0.2387 1867:20 ----- 4.00, 5.62 A or (resid 80 and name HD*) (resid 71 and name HG11) ! 0.1307 1867:20 ----- 4.43, 5.44 A or (resid 115 and name HD*) (resid 119 and name HG12) ! 0.1037 1867:20 ----- 4.60, 6.32 A assign (resid 70 and name HD*) (resid 121 and name HG11) 3.15 1.35 1.35 ! 0.0000 1868:20 Long 3.53, 5.40 A assign (resid 20 and name HN) (resid 18 and name HG1) 3.65 1.85 1.85 ! 0.8580 1869:20 Ambig 5.36, 5.59 A or (resid 119 and name HN) (resid 18 and name HG1) ! 0.1420 1869:20 ----- 7.23, 7.65 A assign (resid 120 and name HD*) (resid 69 and name HG12) 3.65 1.85 1.85 ! 0.8237 1870:20 Ambig 5.51, 6.21 A or (resid 70 and name HD*) (resid 69 and name HG12) ! 0.1232 1870:20 ----- 7.56, 8.43 A assign (resid 56 and name HN) (resid 56 and name HG11) 3.15 1.35 1.35 ! 0.9320 1871:20 Intra 4.51, 4.52 A assign (resid 120 and name HD*) (resid 67 and name HG1) 3.65 1.85 1.85 ! 0.8577 1872:20 Ambig 3.69, 5.80 A or (resid 61 and name HE3) (resid 28 and name HG) ! 0.1336 1872:20 ----- 5.04, 5.30 A assign (resid 86 and name HE3) (resid 89 and name HG2) 3.65 1.85 1.85 ! 0.9487 1873:20 Mid 4.42, 4.71 A assign (resid 110 and name HN) (resid 110 and name HG1) 3.65 1.85 1.85 ! 0.9940 1874:20 Intra 2.03, 2.26 A assign (resid 25 and name HN) (resid 25 and name HG*) 3.15 1.35 1.35 ! 0.0000 1875:20 Intra 2.50, 3.82 A assign (resid 24 and name HN) (resid 25 and name HG*) 3.65 1.85 1.85 ! 0.8129 1876:20 Ambig 4.53, 6.02 A or (resid 64 and name HN) (resid 25 and name HG*) ! 0.1299 1876:20 ----- 6.14, 8.31 A assign (resid 61 and name HZ3) (resid 25 and name HG*) 3.65 1.85 1.85 ! 0.6750 1877:20 Ambig 4.18, 5.56 A or (resid 63 and name HN) (resid 25 and name HG*) ! 0.2914 1877:20 ----- 4.81, 6.99 A assign (resid 115 and name HD*) (resid 51 and name HG*) 3.65 1.85 1.85 ! 0.9053 1878:20 Long 2.64, 5.46 A assign (resid 61 and name HE3) (resid 25 and name HG*) 3.65 1.85 1.85 ! 0.0000 1879:20 Long 2.10, 3.67 A assign (resid 68 and name HD*) (resid 119 and name HG11) 2.65 0.85 0.85 ! 0.9962 1880:20 Long 3.02, 5.08 A assign (resid 119 and name HN) (resid 119 and name HG11) 3.15 1.35 1.35 ! 0.0000 1881:20 Intra 2.94, 3.03 A assign (resid 63 and name HN) (resid 63 and name HG) 4.15 2.35 2.35 ! 0.9553 1882:20 Intra 2.79, 2.96 A assign (resid 64 and name HN) (resid 64 and name HG2*) 2.65 0.85 0.85 ! 0.9870 1883:20 Intra 2.12, 3.14 A assign (resid 87 and name HD22) (resid 64 and name HG2*) 3.15 1.35 1.35 ! 0.7151 1884:20 Ambig 3.88, 6.16 A or (resid 88 and name HN) (resid 64 and name HG2*) ! 0.1484 1884:20 ----- 5.05, 6.27 A or (resid 60 and name HN) (resid 64 and name HG2*) ! 0.1122 1884:20 ----- 5.29, 6.11 A assign (resid 68 and name HE*) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.9782 1885:20 Mid 4.04, 6.35 A assign (resid 49 and name HN) (resid 118 and name HD1*) 3.65 1.85 1.85 ! 0.9964 1886:20 Long 3.53, 4.70 A assign (resid 35 and name HE) (resid 35 and name HG*) 2.65 0.85 0.85 ! 0.5548 1887:20 Ambig 2.38, 3.22 A or (resid 115 and name HD*) (resid 118 and name HD1*) ! 0.4280 1887:20 ----- 2.48, 4.42 A assign (resid 61 and name HZ2) (resid 58 and name HG) 4.15 2.35 2.35 ! 0.0000 1888:20 Mid 5.89, 6.09 A assign (resid 108 and name HN) (resid 111 and name HD1*) 3.65 1.85 1.85 ! 0.6354 1891:20 Ambig 4.47, 5.57 A or (resid 108 and name HN) (resid 95 and name HD1*) ! 0.3646 1891:20 ----- 4.91, 5.66 A assign (resid 70 and name HE*) (resid 111 and name HD1*) 2.65 0.85 0.85 ! 0.9219 1894:20 Long 3.30, 4.31 A assign (resid 49 and name HN) (resid 118 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1895:20 Long 3.13, 4.68 A assign (resid 86 and name HE3) (resid 60 and name HG) 3.65 1.85 1.85 ! 0.7013 1896:20 Ambig 4.96, 5.22 A or (resid 64 and name HN) (resid 60 and name HG) ! 0.1880 1896:20 ----- 6.18, 6.30 A or (resid 56 and name HN) (resid 60 and name HG) ! 0.0474 1896:20 ----- 7.77, 7.87 A assign (resid 60 and name HN) (resid 60 and name HG) 3.15 1.35 1.35 ! 0.9941 1897:20 Intra 2.34, 2.40 A assign (resid 48 and name HN) (resid 118 and name HD2*) 3.15 1.35 1.35 ! 0.7008 1898:20 Ambig 4.10, 5.44 A or (resid 115 and name HD*) (resid 118 and name HD2*) ! 0.2637 1898:20 ----- 4.83, 6.74 A assign (resid 86 and name HE3) (resid 60 and name HD2*) 2.65 0.85 0.85 ! 0.9856 1899:20 Long 2.24, 3.03 A assign (resid 86 and name HZ3) (resid 60 and name HD2*) 2.65 0.85 0.85 ! 0.5162 1900:20 Ambig 3.22, 3.97 A or (resid 60 and name HN) (resid 60 and name HD2*) ! 0.4838 1900:20 ----- 3.25, 4.05 A assign (resid 56 and name HN) (resid 52 and name HD1*) 3.65 1.85 1.85 ! 0.6806 1901:20 Ambig 4.10, 5.35 A or (resid 54 and name HN) (resid 52 and name HD1*) ! 0.1058 1901:20 ----- 5.59, 6.69 A or (resid 49 and name HN) (resid 52 and name HD2*) ! 0.1028 1901:20 ----- 5.61, 6.32 A or (resid 56 and name HN) (resid 52 and name HD2*) ! 0.0456 1901:20 ----- 6.43, 6.94 A assign (resid 68 and name HD*) (resid 94 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1902:20 Long 6.05, 6.65 A assign (resid 68 and name HD*) (resid 52 and name HD2*) 3.65 1.85 1.85 ! 0.5860 1903:20 Ambig 4.88, 6.64 A or (resid 68 and name HD*) (resid 52 and name HD1*) ! 0.3903 1903:20 ----- 5.22, 6.97 A assign (resid 68 and name HE*) (resid 94 and name HD1*) 3.15 1.35 1.35 ! 0.9501 1904:20 Long 4.22, 5.10 A assign (resid 68 and name HE*) (resid 52 and name HD2*) 3.15 1.35 1.35 ! 0.6160 1905:20 Ambig 2.72, 4.73 A or (resid 68 and name HE*) (resid 52 and name HD1*) ! 0.3831 1905:20 ----- 2.94, 4.89 A assign (resid 25 and name HN) (resid 28 and name HD1*) 3.65 1.85 1.85 ! 0.9558 1906:20 Mid 4.42, 5.53 A assign (resid 61 and name HZ2) (resid 28 and name HD1*) 3.65 1.85 1.85 ! 0.8075 1907:20 Ambig 4.80, 5.85 A or (resid 24 and name HN) (resid 28 and name HD1*) ! 0.1925 1907:20 ----- 6.09, 7.08 A assign (resid 61 and name HZ3) (resid 28 and name HD1*) 3.15 1.35 1.35 ! 0.9987 1908:20 Long 2.82, 3.50 A assign (resid 61 and name HE3) (resid 28 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1909:20 Long 2.80, 3.53 A assign (resid 59 and name HE*) (resid 57 and name HG1) 3.65 1.85 1.85 ! 0.0000 1910:20 Mid 3.71, 6.07 A assign (resid 85 and name HE21) (resid 85 and name HB2) 3.15 1.35 1.35 ! 0.0000 1911:20 Intra 2.85, 4.14 A assign (resid 59 and name HE*) (resid 57 and name HG2) 3.65 1.85 1.85 ! 0.9917 1912:20 Mid 4.29, 6.39 A assign (resid 61 and name HD1) (resid 56 and name HG12) 3.65 1.85 1.85 ! 0.0000 1913:20 Long 3.10, 3.32 A assign (resid 21 and name HD*) (resid 18 and name HG1) 4.15 2.35 2.35 ! 0.0000 1914:20 Mid 3.98, 6.43 A assign (resid 120 and name HE*) (resid 18 and name HG1) 3.15 1.35 1.35 ! 0.5303 1915:20 Ambig 2.81, 3.97 A or (resid 21 and name HE*) (resid 18 and name HG1) ! 0.4479 1915:20 ----- 2.89, 6.10 A assign (resid 41 and name HD*) (resid 36 and name HG) 3.65 1.85 1.85 ! 0.5554 1916:20 Ambig 5.24, 6.11 A or (resid 21 and name HD*) (resid 69 and name HG11) ! 0.4446 1916:20 ----- 5.43, 7.49 A assign (resid 21 and name HD*) (resid 69 and name HG12) 4.15 2.35 2.35 ! 0.0000 1917:20 Long 5.69, 7.06 A assign (resid 21 and name HE*) (resid 69 and name HG11) 3.15 1.35 1.35 ! 0.5846 1918:20 Ambig 3.71, 6.02 A or (resid 38 and name HD22) (resid 36 and name HG) ! 0.2119 1918:20 ----- 4.40, 5.51 A or (resid 120 and name HE*) (resid 36 and name HG) ! 0.1277 1918:20 ----- 4.78, 5.94 A assign (resid 21 and name HE*) (resid 69 and name HG12) 3.15 1.35 1.35 ! 0.9875 1919:20 Long 3.49, 5.19 A assign (resid 42 and name HD2) (resid 34 and name HG11) 3.15 1.35 1.35 ! 0.9246 1920:20 Long 2.69, 3.18 A assign (resid 21 and name HD*) (resid 65 and name HG2) 3.65 1.85 1.85 ! 0.0000 1921:20 Long 4.56, 5.51 A assign (resid 120 and name HE*) (resid 67 and name HG1) 3.15 1.35 1.35 ! 0.6154 1922:20 Ambig 2.96, 5.10 A or (resid 42 and name HD2) (resid 67 and name HG1) ! 0.3751 1922:20 ----- 3.21, 3.62 A assign (resid 115 and name HE*) (resid 51 and name HG*) 3.65 1.85 1.85 ! 0.9999 1923:20 Long 1.88, 4.88 A assign (resid 79 and name HE*) (resid 121 and name HG12) 3.65 1.85 1.85 ! 0.9716 1924:20 Long 2.73, 4.93 A assign (resid 42 and name HD2) (resid 44 and name HG1*) 3.65 1.85 1.85 ! 0.9478 1925:20 Mid 2.60, 2.99 A assign (resid 42 and name HD2) (resid 34 and name HG12) 3.65 1.85 1.85 ! 0.6305 1926:20 Ambig 3.24, 3.86 A or (resid 120 and name HE*) (resid 34 and name HG12) ! 0.3529 1926:20 ----- 3.57, 5.66 A assign (resid 21 and name HD*) (resid 65 and name HG1) 3.65 1.85 1.85 ! 0.9986 1927:20 Long 3.01, 6.21 A assign (resid 41 and name HD*) (resid 33 and name HG1) 3.15 1.35 1.35 ! 0.0000 1928:20 Long 2.78, 4.66 A assign (resid 68 and name HZ) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1929:20 Mid 4.52, 5.59 A assign (resid 61 and name HD1) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1930:20 Mid 5.40, 6.12 A assign (resid 41 and name HD*) (resid 33 and name HG2) 3.65 1.85 1.85 ! 0.0000 1931:20 Long 2.09, 3.89 A assign (resid 115 and name HE*) (resid 118 and name HD1*) 3.15 1.35 1.35 ! 0.6252 1932:20 Ambig 4.10, 5.64 A or (resid 68 and name HZ) (resid 118 and name HD1*) ! 0.3292 1932:20 ----- 4.56, 5.47 A assign (resid 21 and name HE*) (resid 18 and name HG2) 3.65 1.85 1.85 ! 0.9543 1933:20 Mid 2.36, 4.68 A assign (resid 70 and name HZ) (resid 111 and name HD1*) 3.15 1.35 1.35 ! 0.9740 1935:20 Long 2.33, 3.13 A assign (resid 59 and name HE2) (resid 60 and name HG) 3.65 1.85 1.85 ! 0.0000 1936:20 Ambig 4.96, 6.42 A or (resid 59 and name HE1) (resid 60 and name HG) ! 0.0000 1936:20 ----- 0.00, 0.00 A or (resid 79 and name HD1) (resid 123 and name HD11) ! 0.0000 1936:20 ----- 0.00, 0.00 A or (resid 79 and name HD2) (resid 123 and name HD11) ! 0.0000 1936:20 ----- 0.00, 0.00 A assign (resid 59 and name HE1) (resid 60 and name HD21) 3.65 1.85 1.85 ! 0.7143 1937:20 Ambig 5.01, 7.48 A or (resid 59 and name HE2) (resid 60 and name HD21) ! 0.2857 1937:20 ----- 5.83, 7.64 A or (resid 79 and name HD1) (resid 123 and name HD21) ! 0.0000 1937:20 ----- 0.00, 0.00 A or (resid 79 and name HD2) (resid 123 and name HD21) ! 0.0000 1937:20 ----- 0.00, 0.00 A assign (resid 115 and name HE*) (resid 94 and name HD1*) 3.15 1.35 1.35 ! 0.9310 1938:20 Long 2.02, 4.83 A assign (resid 68 and name HZ) (resid 52 and name HD1*) 3.15 1.35 1.35 ! 0.5324 1939:20 Ambig 2.41, 3.55 A or (resid 68 and name HZ) (resid 52 and name HD2*) ! 0.3812 1939:20 ----- 2.55, 3.60 A assign (resid 23 and name HA) (resid 65 and name HG2) 3.65 1.85 1.85 ! 0.0000 1940:20 Long 3.26, 3.66 A assign (resid 23 and name HA) (resid 65 and name HG1) 3.65 1.85 1.85 ! 0.0000 1941:20 Long 3.41, 4.28 A assign (resid 56 and name HA) (resid 57 and name HG1) 3.65 1.85 1.85 ! 0.0000 1942:20 Seq 4.45, 4.49 A assign (resid 104 and name HA) (resid 104 and name HG) 3.15 1.35 1.35 ! 0.0000 1943:20 Intra 3.03, 3.24 A assign (resid 56 and name HA) (resid 57 and name HG2) 3.65 1.85 1.85 ! 0.0000 1944:20 Seq 4.12, 4.18 A assign (resid 124 and name HA) (resid 125 and name HG*) 3.15 1.35 1.35 ! 0.9504 1945:20 Seq 4.03, 4.39 A assign (resid 56 and name HA) (resid 55 and name HG1) 4.15 2.35 2.35 ! 0.0000 1946:20 Seq 6.25, 6.35 A assign (resid 56 and name HA) (resid 56 and name HG12) 3.65 1.85 1.85 ! 0.0000 1947:20 Intra 3.09, 3.12 A assign (resid 121 and name HA) (resid 121 and name HG11) 3.65 1.85 1.85 ! 0.0000 1948:20 Intra 2.89, 2.96 A assign (resid 71 and name HA) (resid 71 and name HG11) 3.15 1.35 1.35 ! 0.8363 1949:20 Ambig 3.84, 3.89 A or (resid 69 and name HA) (resid 119 and name HG12) ! 0.0768 1949:20 ----- 5.72, 5.95 A assign (resid 71 and name HA) (resid 122 and name HG11) 3.15 1.35 1.35 ! 0.6692 1950:20 Ambig 4.14, 4.61 A or (resid 69 and name HA) (resid 122 and name HG11) ! 0.2948 1950:20 ----- 4.74, 5.20 A assign (resid 41 and name HA) (resid 36 and name HG) 3.15 1.35 1.35 ! 0.9795 1951:20 Long 2.95, 3.10 A assign (resid 33 and name HA) (resid 34 and name HG11) 3.15 1.35 1.35 ! 0.8895 1952:20 Ambig 3.66, 3.83 A or (resid 42 and name HA) (resid 34 and name HG11) ! 0.1105 1952:20 ----- 5.18, 5.34 A assign (resid 69 and name HA) (resid 69 and name HG11) 3.15 1.35 1.35 ! 0.9972 1953:20 Intra 2.45, 2.49 A assign (resid 69 and name HA) (resid 69 and name HG12) 3.15 1.35 1.35 ! 0.9759 1954:20 Intra 3.69, 3.72 A assign (resid 56 and name HA) (resid 56 and name HG11) 3.15 1.35 1.35 ! 0.8851 1955:20 Ambig 2.48, 2.51 A or (resid 22 and name HA) (resid 65 and name HG2) ! 0.0855 1955:20 ----- 3.66, 4.57 A assign (resid 65 and name HA) (resid 65 and name HG2) 3.15 1.35 1.35 ! 0.0000 1956:20 Intra 2.47, 2.57 A assign (resid 23 and name HB) (resid 25 and name HG*) 4.15 2.35 2.35 ! 0.0000 1958:20 Mid 3.90, 5.62 A assign (resid 121 and name HA) (resid 122 and name HG12) 3.65 1.85 1.85 ! 0.0000 1959:20 Seq 3.50, 3.67 A assign (resid 121 and name HA) (resid 121 and name HG12) 3.65 1.85 1.85 ! 0.9993 1960:20 Intra 2.47, 2.52 A assign (resid 69 and name HA) (resid 122 and name HG12) 3.15 1.35 1.35 ! 0.4570 1961:20 Ambig 3.77, 4.09 A or (resid 71 and name HA) (resid 122 and name HG12) ! 0.4456 1961:20 ----- 3.78, 4.15 A assign (resid 71 and name HA) (resid 71 and name HG12) 3.15 1.35 1.35 ! 0.8937 1962:20 Ambig 3.18, 3.26 A or (resid 115 and name HA) (resid 119 and name HG11) ! 0.0557 1962:20 ----- 5.06, 5.25 A assign (resid 33 and name HA) (resid 34 and name HG12) 3.65 1.85 1.85 ! 0.8027 1963:20 Ambig 5.26, 5.44 A or (resid 42 and name HA) (resid 34 and name HG12) ! 0.1973 1963:20 ----- 6.65, 6.74 A assign (resid 23 and name HB) (resid 65 and name HG1) 3.65 1.85 1.85 ! 0.7184 1964:20 Ambig 4.26, 5.23 A or (resid 22 and name HA) (resid 65 and name HG1) ! 0.2016 1964:20 ----- 5.26, 6.15 A assign (resid 65 and name HA) (resid 65 and name HG1) 3.15 1.35 1.35 ! 0.0000 1965:20 Intra 2.58, 2.93 A assign (resid 104 and name HA) (resid 104 and name HD1*) 3.15 1.35 1.35 ! 0.9990 1966:20 Intra 2.04, 4.41 A assign (resid 33 and name HA) (resid 33 and name HG1) 3.65 1.85 1.85 ! 0.0000 1967:20 Intra 2.44, 2.52 A assign (resid 78 and name HA) (resid 104 and name HD1*) 3.15 1.35 1.35 ! 0.8712 1968:20 Ambig 2.95, 6.40 A or (resid 42 and name HA) (resid 36 and name HD1*) ! 0.1288 1968:20 ----- 4.05, 5.50 A assign (resid 33 and name HA) (resid 33 and name HG2) 3.65 1.85 1.85 ! 0.0000 1969:20 Intra 2.84, 3.17 A assign (resid 41 and name HA) (resid 35 and name HG*) 3.65 1.85 1.85 ! 0.0000 1970:20 Long 3.95, 4.66 A assign (resid 115 and name HA) (resid 118 and name HD1*) 3.65 1.85 1.85 ! 0.9934 1971:20 Mid 3.90, 4.75 A assign (resid 56 and name HA) (resid 60 and name HG) 4.15 2.35 2.35 ! 0.0000 1972:20 Mid 5.80, 5.93 A assign (resid 115 and name HA) (resid 118 and name HD2*) 3.65 1.85 1.85 ! 0.9484 1973:20 Mid 5.30, 5.84 A assign (resid 56 and name HA) (resid 52 and name HD1*) 3.65 1.85 1.85 ! 0.5142 1974:20 Ambig 5.40, 6.42 A or (resid 115 and name HA) (resid 52 and name HD1*) ! 0.1804 1974:20 ----- 6.43, 7.63 A or (resid 115 and name HA) (resid 52 and name HD2*) ! 0.1744 1974:20 ----- 6.47, 7.68 A or (resid 56 and name HA) (resid 52 and name HD2*) ! 0.0720 1974:20 ----- 7.50, 8.32 A assign (resid 141 and name HA) (resid 141 and name HB2) 2.65 0.85 0.85 ! 0.9212 1975:20 Intra 2.90, 3.02 A assign (resid 57 and name HA) (resid 57 and name HG1) 3.15 1.35 1.35 ! 0.9868 1976:20 Intra 3.79, 3.84 A assign (resid 57 and name HD1) (resid 57 and name HG1) 3.15 1.35 1.35 ! 0.9952 1977:20 Intra 2.28, 2.30 A assign (resid 47 and name HA) (resid 50 and name HB*) 3.15 1.35 1.35 ! 0.0000 1978:20 Mid 2.67, 3.70 A assign (resid 125 and name HA) (resid 125 and name HG*) 2.65 0.85 0.85 ! 0.9910 1979:20 Intra 2.89, 3.77 A assign (resid 55 and name HA) (resid 55 and name HG1) 2.65 0.85 0.85 ! 0.9738 1980:20 Intra 2.86, 3.03 A assign (resid 55 and name HA) (resid 55 and name HG2) 2.65 0.85 0.85 ! 0.0000 1981:20 Intra 2.49, 2.58 A assign (resid 57 and name HD1) (resid 57 and name HG2) 3.15 1.35 1.35 ! 0.9333 1982:20 Intra 2.97, 2.98 A assign (resid 86 and name HA) (resid 89 and name HG1) 3.65 1.85 1.85 ! 0.9517 1983:20 Mid 4.73, 5.07 A assign (resid 89 and name HA) (resid 89 and name HG1) 3.15 1.35 1.35 ! 0.0000 1984:20 Intra 2.54, 2.60 A assign (resid 122 and name HA) (resid 122 and name HG11) 3.15 1.35 1.35 ! 0.0000 1985:20 Intra 3.73, 3.80 A assign (resid 76 and name HA) (resid 76 and name HG11) 2.65 0.85 0.85 ! 0.7483 1986:20 Ambig 2.58, 3.23 A or (resid 5 and name HA) (resid 5 and name HG11) ! 0.2517 1986:20 ----- 3.09, 3.67 A assign (resid 18 and name HA) (resid 18 and name HG1) 3.15 1.35 1.35 ! 0.9984 1987:20 Intra 2.95, 3.13 A assign (resid 113 and name HA) (resid 113 and name HG1) 2.65 0.85 0.85 ! 0.9747 1988:20 Intra 2.13, 2.58 A assign (resid 123 and name HA) (resid 123 and name HG) 2.65 0.85 0.85 ! 0.6580 1989:20 Ambig 3.01, 3.17 A or (resid 122 and name HA) (resid 123 and name HG) ! 0.2194 1989:20 ----- 3.62, 3.97 A or (resid 7 and name HA) (resid 10 and name HG) ! 0.0824 1989:20 ----- 4.26, 8.16 A assign (resid 127 and name HA) (resid 127 and name HG*) 2.65 0.85 0.85 ! 0.9645 1990:20 Intra 2.39, 2.99 A assign (resid 132 and name HA) (resid 135 and name HG) 2.65 0.85 0.85 ! 0.5708 1991:20 Ambig 2.71, 4.25 A or (resid 135 and name HA) (resid 135 and name HG) ! 0.2763 1991:20 ----- 3.05, 3.39 A or (resid 131 and name HA) (resid 135 and name HG) ! 0.1327 1991:20 ----- 3.45, 5.00 A assign (resid 82 and name HA) (resid 88 and name HG1) 3.15 1.35 1.35 ! 0.5538 1993:20 Ambig 4.64, 4.94 A or (resid 87 and name HA) (resid 88 and name HG1) ! 0.3426 1993:20 ----- 5.02, 5.22 A or (resid 100 and name HA) (resid 88 and name HG1) ! 0.0600 1993:20 ----- 6.72, 7.91 A assign (resid 31 and name HA) (resid 31 and name HG*) 2.65 0.85 0.85 ! 0.8993 1995:20 Ambig 2.46, 3.25 A or (resid 117 and name HB1) (resid 45 and name HG*) ! 0.0676 1995:20 ----- 3.78, 4.43 A assign (resid 48 and name HA) (resid 51 and name HG*) 3.15 1.35 1.35 ! 0.9419 1996:20 Mid 1.91, 2.57 A assign (resid 11 and name HA) (resid 11 and name HG*) 2.65 0.85 0.85 ! 0.3280 1997:20 Ambig 2.38, 3.35 A or (resid 4 and name HA) (resid 4 and name HG*) ! 0.3230 1997:20 ----- 2.38, 3.14 A or (resid 45 and name HA) (resid 45 and name HG*) ! 0.2884 1997:20 ----- 2.43, 3.14 A assign (resid 52 and name HA) (resid 51 and name HG*) 2.65 0.85 0.85 ! 0.3354 1998:20 Ambig 3.47, 4.50 A or (resid 51 and name HA) (resid 51 and name HG*) ! 0.2605 1998:20 ----- 3.62, 3.75 A or (resid 90 and name HA) (resid 89 and name HG2) ! 0.2236 1998:20 ----- 3.72, 3.94 A or (resid 92 and name HB2) (resid 89 and name HG2) ! 0.1639 1998:20 ----- 3.91, 5.08 A assign (resid 122 and name HA) (resid 122 and name HG12) 3.15 1.35 1.35 ! 0.9844 2000:20 Intra 3.04, 3.19 A assign (resid 5 and name HA) (resid 5 and name HG12) 2.65 0.85 0.85 ! 0.5134 2001:20 Ambig 2.60, 3.06 A or (resid 76 and name HA) (resid 76 and name HG12) ! 0.4844 2001:20 ----- 2.63, 3.49 A assign (resid 116 and name HA) (resid 119 and name HG11) 3.15 1.35 1.35 ! 0.8845 2002:20 Ambig 4.55, 4.57 A or (resid 117 and name HB2) (resid 119 and name HG11) ! 0.0477 2002:20 ----- 7.40, 7.56 A assign (resid 32 and name HA) (resid 44 and name HG1*) 2.65 0.85 0.85 ! 0.4821 2003:20 Ambig 3.48, 4.38 A or (resid 118 and name HA) (resid 44 and name HG1*) ! 0.4701 2003:20 ----- 3.50, 4.77 A assign (resid 99 and name HA) (resid 99 and name HG1*) 2.65 0.85 0.85 ! 0.9345 2006:20 Intra 2.39, 3.05 A assign (resid 63 and name HA) (resid 63 and name HG) 2.65 0.85 0.85 ! 0.9134 2007:20 Intra 3.01, 3.08 A assign (resid 16 and name HA) (resid 36 and name HD1*) 2.65 0.85 0.85 ! 0.9861 2008:20 Long 2.12, 3.47 A assign (resid 87 and name HA) (resid 64 and name HG2*) 2.65 0.85 0.85 ! 0.9404 2009:20 Long 2.36, 3.70 A assign (resid 64 and name HA) (resid 64 and name HG2*) 2.65 0.85 0.85 ! 0.8299 2010:20 Ambig 2.48, 3.08 A or (resid 60 and name HA) (resid 64 and name HG2*) ! 0.1675 2010:20 ----- 3.24, 4.41 A assign (resid 36 and name HA) (resid 35 and name HG*) 3.15 1.35 1.35 ! 0.5107 2011:20 Ambig 4.10, 4.88 A or (resid 118 and name HA) (resid 118 and name HD1*) ! 0.4171 2011:20 ----- 4.24, 4.67 A assign (resid 17 and name HA) (resid 18 and name HG2) 3.65 1.85 1.85 ! 0.6416 2012:20 Ambig 4.55, 4.64 A or (resid 67 and name HA) (resid 18 and name HG2) ! 0.2698 2012:20 ----- 5.25, 5.51 A assign (resid 37 and name HA) (resid 35 and name HG*) 3.65 1.85 1.85 ! 0.5907 2013:20 Ambig 4.23, 5.37 A or (resid 67 and name HA) (resid 118 and name HD1*) ! 0.2471 2013:20 ----- 4.89, 5.95 A or (resid 19 and name HA) (resid 35 and name HG*) ! 0.1161 2013:20 ----- 5.55, 6.91 A assign (resid 39 and name HA) (resid 35 and name HG*) 2.65 0.85 0.85 ! 0.9950 2014:20 Mid 2.19, 2.60 A assign (resid 59 and name HA) (resid 58 and name HG) 3.15 1.35 1.35 ! 0.7505 2016:20 Ambig 3.40, 5.55 A or (resid 111 and name HA) (resid 111 and name HD1*) ! 0.1581 2016:20 ----- 4.41, 4.66 A assign (resid 118 and name HA) (resid 118 and name HD2*) 2.65 0.85 0.85 ! 0.9991 2017:20 Intra 2.17, 3.00 A assign (resid 32 and name HA) (resid 32 and name HG) 3.15 1.35 1.35 ! 0.7321 2018:20 Ambig 2.95, 3.05 A or (resid 30 and name HA1) (resid 32 and name HG) ! 0.1380 2018:20 ----- 3.89, 4.24 A or (resid 31 and name HA) (resid 32 and name HG) ! 0.1299 2018:20 ----- 3.93, 4.13 A assign (resid 27 and name HA) (resid 32 and name HG) 3.15 1.35 1.35 ! 0.9975 2019:20 Long 3.38, 3.62 A assign (resid 67 and name HA) (resid 118 and name HD2*) 3.15 1.35 1.35 ! 0.9548 2020:20 Long 3.83, 5.07 A assign (resid 107 and name HA) (resid 95 and name HD1*) 3.15 1.35 1.35 ! 0.7761 2021:20 Ambig 3.03, 4.30 A or (resid 95 and name HA) (resid 95 and name HD1*) ! 0.0914 2021:20 ----- 4.32, 4.63 A or (resid 57 and name HA) (resid 60 and name HG) ! 0.0321 2021:20 ----- 5.15, 5.27 A or (resid 107 and name HA) (resid 111 and name HD1*) ! 0.0301 2021:20 ----- 5.20, 5.99 A assign (resid 60 and name HA) (resid 60 and name HG) 2.65 0.85 0.85 ! 0.8964 2022:20 Ambig 3.27, 3.32 A or (resid 57 and name HD1) (resid 60 and name HG) ! 0.0621 2022:20 ----- 5.10, 5.28 A assign (resid 123 and name HA) (resid 123 and name HD2*) 2.65 0.85 0.85 ! 0.9885 2023:20 Intra 2.12, 2.97 A assign (resid 135 and name HA) (resid 135 and name HD1*) 2.30 0.50 0.50 ! 0.3638 2024:20 Ambig 2.02, 3.88 A or (resid 135 and name HA) (resid 135 and name HD2*) ! 0.2922 2024:20 ----- 2.10, 3.21 A or (resid 132 and name HA) (resid 135 and name HD1*) ! 0.2842 2024:20 ----- 2.11, 5.32 A assign (resid 60 and name HA) (resid 60 and name HD2*) 2.65 0.85 0.85 ! 0.9948 2025:20 Intra 2.14, 2.95 A assign (resid 95 and name HA) (resid 94 and name HD1*) 3.65 1.85 1.85 ! 0.6677 2026:20 Ambig 6.44, 7.01 A or (resid 92 and name HB1) (resid 94 and name HD1*) ! 0.2600 2026:20 ----- 7.53, 9.14 A assign (resid 94 and name HA) (resid 94 and name HD1*) 3.15 1.35 1.35 ! 0.9616 2027:20 Intra 4.42, 4.67 A assign (resid 52 and name HA) (resid 52 and name HD1*) 2.65 0.85 0.85 ! 0.9724 2028:20 Intra 2.27, 3.11 A assign (resid 61 and name HA) (resid 28 and name HD1*) 3.65 1.85 1.85 ! 0.9344 2029:20 Long 5.64, 6.41 A assign (resid 57 and name HD2) (resid 57 and name HG1) 3.15 1.35 1.35 ! 0.9993 2030:20 Intra 2.62, 2.66 A assign (resid 85 and name HA) (resid 85 and name HB1) 2.30 0.50 0.50 ! 0.9996 2031:20 Intra 2.42, 2.46 A assign (resid 125 and name HD*) (resid 125 and name HG*) 2.65 0.85 0.85 ! 0.9530 2033:20 Intra 2.28, 2.57 A assign (resid 57 and name HD2) (resid 57 and name HG2) 3.15 1.35 1.35 ! 0.9992 2034:20 Intra 2.27, 2.30 A assign (resid 57 and name HD2) (resid 56 and name HG12) 3.15 1.35 1.35 ! 0.9745 2035:20 Seq 2.68, 2.81 A assign (resid 85 and name HA) (resid 85 and name HB2) 2.30 0.50 0.50 ! 0.9995 2038:20 Intra 2.40, 2.45 A assign (resid 82 and name HB1) (resid 122 and name HG11) 3.65 1.85 1.85 ! 0.6282 2039:20 Ambig 5.48, 6.12 A or (resid 112 and name HA) (resid 121 and name HG11) ! 0.3718 2039:20 ----- 5.98, 6.26 A assign (resid 17 and name HB*) (resid 18 and name HG1) 3.65 1.85 1.85 ! 0.8113 2040:20 Ambig 4.87, 5.63 A or (resid 16 and name HB2) (resid 18 and name HG1) ! 0.0676 2040:20 ----- 7.37, 8.06 A or (resid 82 and name HB2) (resid 18 and name HG1) ! 0.0431 2040:20 ----- 7.95, 9.80 A assign (resid 73 and name HB*) (resid 76 and name HG11) 4.15 2.35 2.35 ! 0.0000 2041:20 Mid 4.10, 5.62 A assign (resid 67 and name HD*) (resid 18 and name HG1) 3.65 1.85 1.85 ! 0.0000 2042:20 Long 2.67, 3.69 A assign (resid 18 and name HD1) (resid 18 and name HG1) 3.15 1.35 1.35 ! 0.9998 2043:20 Intra 2.27, 2.30 A assign (resid 44 and name HA) (resid 34 and name HG11) 3.65 1.85 1.85 ! 0.0000 2044:20 Long 5.22, 5.42 A assign (resid 88 and name HA) (resid 88 and name HG1) 2.65 0.85 0.85 ! 0.9619 2045:20 Intra 2.90, 2.99 A assign (resid 67 and name HD*) (resid 67 and name HG1) 2.65 0.85 0.85 ! 0.0000 2046:20 Intra 2.30, 2.67 A assign (resid 110 and name HA) (resid 110 and name HG2) 3.15 1.35 1.35 ! 0.9870 2047:20 Intra 2.50, 2.64 A assign (resid 25 and name HA) (resid 25 and name HG*) 2.65 0.85 0.85 ! 0.9133 2048:20 Intra 2.30, 2.70 A assign (resid 46 and name HA) (resid 46 and name HG2) 3.15 1.35 1.35 ! 0.9855 2049:20 Intra 3.09, 3.36 A assign (resid 46 and name HA) (resid 46 and name HG1) 3.15 1.35 1.35 ! 0.9553 2050:20 Intra 2.56, 2.65 A assign (resid 61 and name HB1) (resid 25 and name HG*) 3.65 1.85 1.85 ! 0.0000 2051:20 Long 1.87, 3.60 A assign (resid 13 and name HA) (resid 13 and name HG11) 3.15 1.35 1.35 ! 0.9338 2052:20 Intra 2.34, 3.24 A assign (resid 73 and name HB*) (resid 76 and name HG12) 3.65 1.85 1.85 ! 0.0000 2053:20 Mid 4.02, 5.23 A assign (resid 13 and name HA) (resid 13 and name HG12) 2.65 0.85 0.85 ! 0.0000 2054:20 Intra 2.53, 2.89 A assign (resid 88 and name HA) (resid 88 and name HG2) 3.15 1.35 1.35 ! 0.7742 2055:20 Ambig 2.55, 2.59 A or (resid 88 and name HA) (resid 99 and name HG1*) ! 0.2116 2055:20 ----- 3.17, 4.54 A assign (resid 67 and name HD*) (resid 67 and name HG2) 3.15 1.35 1.35 ! 0.0000 2056:20 Intra 2.32, 2.49 A assign (resid 16 and name HB1) (resid 36 and name HD1*) 2.65 0.85 0.85 ! 0.9683 2057:20 Long 2.70, 4.18 A assign (resid 57 and name HD2) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.5627 2058:20 Ambig 6.28, 7.12 A or (resid 53 and name HA) (resid 64 and name HG2*) ! 0.2456 2058:20 ----- 7.21, 8.26 A or (resid 91 and name HA) (resid 64 and name HG2*) ! 0.1916 2058:20 ----- 7.51, 8.34 A assign (resid 86 and name HB1) (resid 64 and name HG2*) 2.65 0.85 0.85 ! 0.9685 2059:20 Long 2.62, 3.23 A assign (resid 35 and name HA) (resid 35 and name HG*) 3.15 1.35 1.35 ! 0.9908 2060:20 Intra 2.54, 2.81 A assign (resid 49 and name HA) (resid 118 and name HD1*) 3.15 1.35 1.35 ! 0.9986 2061:20 Long 2.54, 3.38 A assign (resid 30 and name HA2) (resid 32 and name HG) 3.15 1.35 1.35 ! 0.9734 2063:20 Mid 2.54, 2.81 A assign (resid 49 and name HA) (resid 118 and name HD2*) 3.15 1.35 1.35 ! 0.0000 2064:20 Long 3.53, 4.68 A assign (resid 57 and name HD2) (resid 60 and name HG) 3.15 1.35 1.35 ! 0.9837 2065:20 Mid 4.16, 4.32 A assign (resid 49 and name HA) (resid 52 and name HD2*) 3.15 1.35 1.35 ! 0.8818 2067:20 Ambig 2.80, 3.62 A or (resid 53 and name HA) (resid 52 and name HD2*) ! 0.0378 2067:20 ----- 4.73, 5.57 A assign (resid 91 and name HA) (resid 94 and name HD1*) 3.15 1.35 1.35 ! 0.9964 2068:20 Mid 2.32, 3.61 A assign (resid 25 and name HA) (resid 28 and name HD1*) 2.65 0.85 0.85 ! 0.9847 2069:20 Mid 2.21, 3.58 A assign (resid 53 and name HA) (resid 28 and name HD1*) 3.65 1.85 1.85 ! 0.8800 2070:20 Ambig 4.30, 5.87 A or (resid 49 and name HA) (resid 28 and name HD1*) ! 0.1095 2070:20 ----- 6.09, 7.20 A assign (resid 24 and name HA) (resid 28 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2071:20 Mid 5.06, 5.76 A assign (resid 113 and name HD*) (resid 113 and name HG2) 2.30 0.50 0.50 ! 0.5132 2072:20 Ambig 2.34, 2.71 A or (resid 55 and name HD*) (resid 55 and name HG2) ! 0.4868 2072:20 ----- 2.36, 2.72 A assign (resid 115 and name HB1) (resid 118 and name HG) 2.65 0.85 0.85 ! 0.6542 2073:20 Ambig 2.09, 2.26 A or (resid 55 and name HD*) (resid 55 and name HG1) ! 0.3458 2073:20 ----- 2.32, 2.61 A assign (resid 89 and name HE*) (resid 89 and name HG1) 3.15 1.35 1.35 ! 0.0000 2074:20 Intra 2.39, 3.15 A assign (resid 113 and name HD*) (resid 113 and name HG1) 2.30 0.50 0.50 ! 0.9536 2075:20 Intra 2.33, 2.66 A assign (resid 18 and name HD2) (resid 18 and name HG1) 3.15 1.35 1.35 ! 0.9958 2076:20 Intra 2.69, 2.97 A assign (resid 127 and name HD*) (resid 127 and name HG*) 2.30 0.50 0.50 ! 0.0000 2077:20 Intra 2.29, 2.62 A assign (resid 88 and name HE1) (resid 88 and name HG1) 2.65 0.85 0.85 ! 0.7751 2078:20 Ambig 2.35, 2.42 A or (resid 88 and name HE2) (resid 88 and name HG1) ! 0.2225 2078:20 ----- 2.89, 2.98 A assign (resid 87 and name HB1) (resid 88 and name HG1) 3.15 1.35 1.35 ! 0.8240 2079:20 Ambig 3.72, 4.05 A or (resid 55 and name HD*) (resid 94 and name HG) ! 0.1328 2079:20 ----- 5.04, 6.35 A assign (resid 89 and name HE*) (resid 89 and name HG2) 2.65 0.85 0.85 ! 0.9540 2080:20 Intra 2.73, 3.87 A assign (resid 26 and name HB1) (resid 31 and name HG*) 2.30 0.50 0.50 ! 0.3425 2081:20 Ambig 2.07, 3.35 A or (resid 45 and name HE*) (resid 45 and name HG*) ! 0.1654 2081:20 ----- 2.34, 3.50 A or (resid 4 and name HE*) (resid 4 and name HG*) ! 0.1605 2081:20 ----- 2.35, 3.36 A or (resid 31 and name HE*) (resid 31 and name HG*) ! 0.1489 2081:20 ----- 2.38, 3.31 A or (resid 110 and name HE*) (resid 110 and name HG2) ! 0.1370 2081:20 ----- 2.42, 3.27 A assign (resid 51 and name HE*) (resid 51 and name HG*) 2.65 0.85 0.85 ! 0.9950 2082:20 Intra 2.41, 3.08 A assign (resid 70 and name HB2) (resid 121 and name HG12) 2.65 0.85 0.85 ! 0.5695 2083:20 Ambig 2.37, 2.49 A or (resid 11 and name HE*) (resid 8 and name HG12) ! 0.2680 2083:20 ----- 2.69, 9.17 A or (resid 6 and name HB2) (resid 8 and name HG12) ! 0.0600 2083:20 ----- 3.45, 7.23 A or (resid 6 and name HB1) (resid 8 and name HG12) ! 0.0486 2083:20 ----- 3.57, 6.80 A assign (resid 115 and name HB2) (resid 119 and name HG11) 2.65 0.85 0.85 ! 0.9710 2084:20 Mid 2.70, 2.91 A assign (resid 42 and name HB*) (resid 34 and name HG12) 3.15 1.35 1.35 ! 0.9937 2085:20 Long 3.89, 4.92 A assign (resid 88 and name HE2) (resid 88 and name HG2) 2.65 0.85 0.85 ! 0.7151 2086:20 Ambig 2.45, 2.51 A or (resid 88 and name HE1) (resid 88 and name HG2) ! 0.2306 2086:20 ----- 2.96, 3.07 A assign (resid 65 and name HE*) (resid 65 and name HG1) 3.15 1.35 1.35 ! 0.9673 2089:20 Intra 2.36, 3.01 A assign (resid 21 and name HB2) (resid 65 and name HG1) 3.65 1.85 1.85 ! 0.0000 2090:20 Long 3.21, 4.48 A assign (resid 40 and name HB2) (resid 36 and name HD1*) 2.65 0.85 0.85 ! 0.7413 2091:20 Ambig 1.99, 3.26 A or (resid 42 and name HB*) (resid 36 and name HD1*) ! 0.2587 2091:20 ----- 2.37, 4.41 A assign (resid 33 and name HE*) (resid 33 and name HG1) 3.15 1.35 1.35 ! 0.8990 2092:20 Ambig 2.45, 3.44 A or (resid 41 and name HB2) (resid 33 and name HG1) ! 0.1010 2092:20 ----- 3.52, 3.79 A assign (resid 33 and name HE*) (resid 33 and name HG2) 3.65 1.85 1.85 ! 0.8982 2093:20 Ambig 2.42, 3.36 A or (resid 41 and name HB2) (resid 33 and name HG2) ! 0.1018 2093:20 ----- 3.49, 3.92 A assign (resid 115 and name HB1) (resid 118 and name HD1*) 2.65 0.85 0.85 ! 0.6892 2094:20 Ambig 2.04, 3.00 A or (resid 35 and name HD1) (resid 35 and name HG*) ! 0.3102 2094:20 ----- 2.33, 2.48 A assign (resid 35 and name HD2) (resid 35 and name HG*) 2.65 0.85 0.85 ! 0.9544 2095:20 Intra 2.31, 2.66 A assign (resid 115 and name HB2) (resid 118 and name HD1*) 3.15 1.35 1.35 ! 0.8512 2096:20 Ambig 3.20, 4.43 A or (resid 39 and name HB2) (resid 35 and name HG*) ! 0.0580 2096:20 ----- 5.01, 5.42 A assign (resid 48 and name HG1) (resid 118 and name HD1*) 3.65 1.85 1.85 ! 0.6788 2097:20 Ambig 4.81, 6.14 A or (resid 37 and name HB2) (resid 35 and name HG*) ! 0.1465 2097:20 ----- 6.21, 7.59 A or (resid 68 and name HB2) (resid 118 and name HD1*) ! 0.1128 2097:20 ----- 6.49, 7.28 A assign (resid 107 and name HB1) (resid 95 and name HD1*) 3.15 1.35 1.35 ! 0.6712 2099:20 Ambig 1.95, 2.52 A or (resid 108 and name HA) (resid 111 and name HD1*) ! 0.2926 2099:20 ----- 2.24, 3.48 A assign (resid 115 and name HB1) (resid 118 and name HD2*) 3.15 1.35 1.35 ! 0.9834 2100:20 Mid 4.31, 4.64 A assign (resid 107 and name HB1) (resid 95 and name HD1*) 2.65 0.85 0.85 ! 0.9809 2101:20 Long 1.95, 2.52 A assign (resid 115 and name HB2) (resid 118 and name HD2*) 3.65 1.85 1.85 ! 0.8240 2102:20 Ambig 5.81, 6.15 A or (resid 68 and name HB1) (resid 118 and name HD2*) ! 0.0900 2102:20 ----- 8.41, 9.38 A assign (resid 48 and name HG1) (resid 118 and name HD2*) 3.65 1.85 1.85 ! 0.9463 2103:20 Long 4.06, 5.62 A assign (resid 107 and name HB2) (resid 95 and name HD1*) 3.15 1.35 1.35 ! 0.8567 2104:20 Ambig 3.28, 4.04 A or (resid 107 and name HB2) (resid 111 and name HD1*) ! 0.1433 2104:20 ----- 4.42, 5.61 A assign (resid 107 and name HB1) (resid 103 and name HG11) 3.65 1.85 1.85 ! 0.4672 2105:20 Ambig 4.23, 4.45 A or (resid 108 and name HA) (resid 103 and name HG11) ! 0.2846 2105:20 ----- 4.60, 4.79 A or (resid 70 and name HB1) (resid 103 and name HG11) ! 0.1771 2105:20 ----- 4.98, 5.19 A assign (resid 107 and name HB2) (resid 103 and name HG11) 3.65 1.85 1.85 ! 0.7456 2106:20 Ambig 3.15, 3.48 A or (resid 79 and name HB1) (resid 103 and name HG11) ! 0.2544 2106:20 ----- 3.77, 4.04 A assign (resid 55 and name HD*) (resid 94 and name HD1*) 3.65 1.85 1.85 ! 0.7805 2107:20 Ambig 4.88, 6.36 A or (resid 115 and name HB1) (resid 94 and name HD1*) ! 0.1551 2107:20 ----- 6.39, 7.15 A assign (resid 55 and name HD*) (resid 52 and name HD1*) 3.65 1.85 1.85 ! 0.5527 2108:20 Ambig 3.92, 5.94 A or (resid 115 and name HB1) (resid 52 and name HD2*) ! 0.2138 2108:20 ----- 4.59, 5.80 A or (resid 115 and name HB1) (resid 52 and name HD1*) ! 0.2004 2108:20 ----- 4.64, 6.01 A assign (resid 53 and name HB1) (resid 28 and name HD1*) 3.15 1.35 1.35 ! 0.9904 2109:20 Long 2.11, 3.74 A assign (resid 53 and name HB2) (resid 28 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2110:20 Long 2.57, 3.92 A assign (resid 57 and name HB1) (resid 57 and name HG1) 2.65 0.85 0.85 ! 0.0000 2111:20 Intra 2.27, 2.29 A assign (resid 57 and name HB2) (resid 57 and name HG1) 2.65 0.85 0.85 ! 0.9441 2113:20 Intra 2.68, 2.72 A assign (resid 57 and name HB1) (resid 57 and name HG2) 2.65 0.85 0.85 ! 0.0000 2114:20 Intra 2.93, 2.95 A assign (resid 125 and name HB1) (resid 125 and name HG*) 2.30 0.50 0.50 ! 0.0000 2115:20 Intra 2.28, 2.60 A assign (resid 55 and name HB1) (resid 55 and name HG2) 2.65 0.85 0.85 ! 0.9735 2116:20 Intra 2.37, 2.41 A assign (resid 89 and name HB2) (resid 89 and name HG1) 2.65 0.85 0.85 ! 0.7870 2117:20 Ambig 2.41, 2.47 A or (resid 89 and name HB1) (resid 89 and name HG1) ! 0.2103 2117:20 ----- 3.00, 3.01 A assign (resid 89 and name HD*) (resid 89 and name HG1) 2.30 0.50 0.50 ! 0.8502 2118:20 Ambig 2.46, 2.76 A or (resid 93 and name HG11) (resid 89 and name HG1) ! 0.1409 2118:20 ----- 3.32, 3.70 A assign (resid 78 and name HG1) (resid 76 and name HG11) 3.65 1.85 1.85 ! 0.0000 2119:20 Mid 4.25, 4.99 A assign (resid 8 and name HB) (resid 8 and name HG11) 2.30 0.50 0.50 ! 0.2186 2120:20 Ambig 2.38, 2.48 A or (resid 5 and name HB) (resid 5 and name HG11) ! 0.2053 2120:20 ----- 2.41, 2.47 A or (resid 76 and name HB) (resid 76 and name HG11) ! 0.1874 2120:20 ----- 2.44, 2.75 A or (resid 2 and name HB) (resid 2 and name HG11) ! 0.1861 2120:20 ----- 2.45, 2.56 A or (resid 121 and name HB) (resid 121 and name HG11) ! 0.1792 2120:20 ----- 2.46, 2.50 A assign (resid 18 and name HB1) (resid 18 and name HG1) 2.30 0.50 0.50 ! 0.8957 2122:20 Ambig 2.29, 2.31 A or (resid 67 and name HB2) (resid 18 and name HG1) ! 0.1041 2122:20 ----- 3.27, 3.56 A assign (resid 88 and name HB2) (resid 88 and name HG1) 2.30 0.50 0.50 ! 0.5443 2123:20 Ambig 2.47, 2.51 A or (resid 94 and name HB1) (resid 94 and name HG) ! 0.1684 2123:20 ----- 3.00, 3.01 A or (resid 88 and name HB1) (resid 88 and name HG1) ! 0.1662 2123:20 ----- 3.01, 3.02 A or (resid 56 and name HB) (resid 94 and name HG) ! 0.0492 2123:20 ----- 3.69, 3.87 A assign (resid 110 and name HB*) (resid 110 and name HG2) 2.30 0.50 0.50 ! 0.5447 2124:20 Ambig 2.37, 2.72 A or (resid 72 and name HB1) (resid 72 and name HG1) ! 0.4384 2124:20 ----- 2.46, 2.83 A assign (resid 89 and name HD*) (resid 89 and name HG2) 2.30 0.50 0.50 ! 0.8022 2125:20 Ambig 2.29, 2.46 A or (resid 93 and name HG11) (resid 89 and name HG2) ! 0.1772 2125:20 ----- 2.95, 3.27 A assign (resid 51 and name HB*) (resid 51 and name HG*) 2.30 0.50 0.50 ! 0.9294 2126:20 Intra 2.27, 2.71 A assign (resid 25 and name HB1) (resid 25 and name HG*) 2.30 0.50 0.50 ! 0.4976 2127:20 Ambig 2.36, 2.71 A or (resid 25 and name HD*) (resid 25 and name HG*) ! 0.4967 2127:20 ----- 2.36, 2.68 A assign (resid 71 and name HB) (resid 71 and name HG12) 2.65 0.85 0.85 ! 0.8985 2128:20 Ambig 2.44, 2.47 A or (resid 122 and name HB) (resid 71 and name HG12) ! 0.0348 2128:20 ----- 4.19, 4.33 A assign (resid 75 and name HB2) (resid 76 and name HG12) 2.65 0.85 0.85 ! 0.4567 2129:20 Ambig 2.20, 3.94 A or (resid 76 and name HB) (resid 76 and name HG12) ! 0.2678 2129:20 ----- 2.40, 2.52 A or (resid 5 and name HB) (resid 5 and name HG12) ! 0.2647 2129:20 ----- 2.41, 2.57 A assign (resid 121 and name HB) (resid 121 and name HG12) 2.65 0.85 0.85 ! 0.9711 2130:20 Intra 3.02, 3.02 A assign (resid 81 and name HB) (resid 88 and name HG2) 2.30 0.50 0.50 ! 0.2969 2131:20 Ambig 2.20, 2.53 A or (resid 91 and name HB) (resid 99 and name HG1*) ! 0.2736 2131:20 ----- 2.23, 3.30 A or (resid 88 and name HB1) (resid 88 and name HG2) ! 0.1881 2131:20 ----- 2.37, 2.40 A or (resid 99 and name HB) (resid 99 and name HG1*) ! 0.1524 2131:20 ----- 2.46, 2.76 A assign (resid 89 and name HB1) (resid 64 and name HG2*) 3.15 1.35 1.35 ! 0.7144 2133:20 Ambig 4.38, 5.08 A or (resid 24 and name HB) (resid 64 and name HG2*) ! 0.1552 2133:20 ----- 5.65, 6.35 A or (resid 89 and name HB2) (resid 64 and name HG2*) ! 0.1080 2133:20 ----- 6.01, 6.74 A assign (resid 36 and name HB1) (resid 36 and name HD1*) 2.65 0.85 0.85 ! 0.7582 2134:20 Ambig 2.45, 3.08 A or (resid 78 and name HG1) (resid 104 and name HD1*) ! 0.2410 2134:20 ----- 2.97, 6.63 A assign (resid 64 and name HB) (resid 64 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2135:20 Intra 2.40, 2.62 A assign (resid 104 and name HG) (resid 104 and name HD1*) 2.30 0.50 0.50 ! 0.9522 2136:20 Intra 2.39, 2.63 A assign (resid 48 and name HB1) (resid 118 and name HD1*) 3.15 1.35 1.35 ! 0.5027 2137:20 Ambig 2.76, 3.72 A or (resid 48 and name HB2) (resid 118 and name HD1*) ! 0.4829 2137:20 ----- 2.77, 3.89 A assign (resid 118 and name HB1) (resid 118 and name HD1*) 2.65 0.85 0.85 ! 0.9154 2138:20 Intra 2.42, 2.99 A assign (resid 118 and name HG) (resid 118 and name HD1*) 2.65 0.85 0.85 ! 0.9926 2139:20 Intra 2.41, 2.62 A assign (resid 111 and name HG) (resid 95 and name HD1*) 2.65 0.85 0.85 ! 0.4556 2141:20 Ambig 2.19, 3.91 A or (resid 111 and name HG) (resid 111 and name HD1*) ! 0.2535 2141:20 ----- 2.42, 2.63 A or (resid 111 and name HB1) (resid 111 and name HD1*) ! 0.2115 2141:20 ----- 2.49, 3.11 A assign (resid 32 and name HB1) (resid 32 and name HG) 3.15 1.35 1.35 ! 0.9938 2142:20 Intra 2.99, 3.01 A assign (resid 48 and name HB2) (resid 118 and name HD2*) 3.15 1.35 1.35 ! 0.9983 2143:20 Long 2.36, 3.58 A assign (resid 57 and name HG1) (resid 60 and name HG) 3.15 1.35 1.35 ! 0.8915 2144:20 Ambig 3.60, 3.95 A or (resid 89 and name HB1) (resid 60 and name HG) ! 0.0809 2144:20 ----- 5.37, 5.80 A assign (resid 57 and name HG2) (resid 60 and name HG) 2.30 0.50 0.50 ! 0.5940 2146:20 Ambig 2.15, 2.38 A or (resid 95 and name HG) (resid 95 and name HD1*) ! 0.3104 2146:20 ----- 2.40, 2.63 A assign (resid 46 and name HB2) (resid 32 and name HG) 3.15 1.35 1.35 ! 0.8585 2147:20 Ambig 3.62, 3.80 A or (resid 46 and name HB1) (resid 32 and name HG) ! 0.0951 2147:20 ----- 5.23, 5.43 A assign (resid 94 and name HB1) (resid 94 and name HD1*) 2.65 0.85 0.85 ! 0.8926 2148:20 Ambig 2.49, 3.11 A or (resid 56 and name HB) (resid 94 and name HD1*) ! 0.0640 2148:20 ----- 3.87, 4.96 A assign (resid 56 and name HB) (resid 52 and name HD1*) 2.65 0.85 0.85 ! 0.5645 2149:20 Ambig 3.21, 4.14 A or (resid 118 and name HB1) (resid 52 and name HD2*) ! 0.2346 2149:20 ----- 3.72, 4.86 A or (resid 94 and name HB1) (resid 52 and name HD1*) ! 0.0498 2149:20 ----- 4.82, 5.43 A or (resid 56 and name HB) (resid 52 and name HD2*) ! 0.0369 2149:20 ----- 5.06, 5.96 A or (resid 49 and name HB) (resid 52 and name HD2*) ! 0.0337 2149:20 ----- 5.14, 6.23 A assign (resid 90 and name HB*) (resid 94 and name HD1*) 3.15 1.35 1.35 ! 0.9739 2150:20 Mid 2.85, 4.71 A assign (resid 52 and name HB1) (resid 52 and name HD2*) 2.65 0.85 0.85 ! 0.7776 2151:20 Ambig 2.40, 3.01 A or (resid 90 and name HB*) (resid 52 and name HD1*) ! 0.1038 2151:20 ----- 3.35, 5.56 A or (resid 52 and name HB1) (resid 52 and name HD1*) ! 0.0604 2151:20 ----- 3.67, 3.89 A assign (resid 24 and name HB) (resid 28 and name HD1*) 3.65 1.85 1.85 ! 0.8058 2152:20 Ambig 4.58, 5.34 A or (resid 50 and name HG1) (resid 28 and name HD1*) ! 0.1942 2152:20 ----- 5.81, 6.54 A assign (resid 28 and name HB1) (resid 28 and name HD1*) 2.65 0.85 0.85 ! 0.8701 2153:20 Ambig 2.49, 3.12 A or (resid 25 and name HD*) (resid 28 and name HD1*) ! 0.1058 2153:20 ----- 3.54, 7.23 A assign (resid 56 and name HG11) (resid 57 and name HG1) 3.15 1.35 1.35 ! 0.6876 2155:20 Ambig 4.35, 4.50 A or (resid 60 and name HB2) (resid 57 and name HG1) ! 0.2928 2155:20 ----- 5.01, 5.29 A assign (resid 93 and name HG2*) (resid 57 and name HG1) 3.15 1.35 1.35 ! 0.9832 2156:20 Long 3.14, 4.63 A assign (resid 85 and name HG2) (resid 85 and name HB1) 2.65 0.85 0.85 ! 0.9978 2158:20 Intra 2.41, 2.48 A assign (resid 13 and name HG11) (resid 125 and name HG*) 4.15 2.35 2.35 ! 0.8934 2159:20 Ambig 2.02, 4.87 A or (resid 126 and name HG2*) (resid 125 and name HG*) ! 0.1066 2159:20 ----- 2.88, 6.63 A assign (resid 25 and name HB2) (resid 25 and name HG*) 2.30 0.50 0.50 ! 0.0000 2171:20 Intra 2.30, 2.67 A assign (resid 45 and name HD*) (resid 45 and name HG*) 2.30 0.50 0.50 ! 0.0000 2172:20 Intra 2.23, 2.64 A assign (resid 44 and name HB) (resid 44 and name HG1*) 2.65 0.85 0.85 ! 0.9861 2176:20 Intra 2.44, 2.73 A assign (resid 90 and name HB*) (resid 64 and name HG2*) 2.30 0.50 0.50 ! 0.9844 2178:20 Long 2.09, 3.81 A assign (resid 60 and name HB2) (resid 64 and name HG2*) 2.65 0.85 0.85 ! 0.8188 2179:20 Ambig 3.45, 4.05 A or (resid 24 and name HG11) (resid 64 and name HG2*) ! 0.1701 2179:20 ----- 4.48, 5.01 A assign (resid 118 and name HB2) (resid 118 and name HD1*) 2.30 0.50 0.50 ! 0.9808 2180:20 Intra 2.52, 3.15 A assign (resid 35 and name HB*) (resid 35 and name HG*) 2.65 0.85 0.85 ! 0.7815 2181:20 Ambig 2.32, 2.72 A or (resid 52 and name HB2) (resid 118 and name HD1*) ! 0.1738 2181:20 ----- 2.98, 3.45 A assign (resid 32 and name HB2) (resid 32 and name HG) 2.30 0.50 0.50 ! 0.9299 2184:20 Intra 2.46, 2.48 A assign (resid 57 and name HB2) (resid 60 and name HG) 2.30 0.50 0.50 ! 0.8043 2185:20 Ambig 2.82, 2.93 A or (resid 56 and name HG12) (resid 60 and name HG) ! 0.1775 2185:20 ----- 3.63, 3.69 A assign (resid 60 and name HB2) (resid 60 and name HG) 2.30 0.50 0.50 ! 0.9703 2186:20 Intra 2.37, 2.41 A assign (resid 135 and name HG) (resid 135 and name HD1*) 2.30 0.50 0.50 ! 0.5230 2187:20 Ambig 2.39, 2.62 A or (resid 135 and name HG) (resid 135 and name HD2*) ! 0.4770 2187:20 ----- 2.43, 2.64 A assign (resid 52 and name HB2) (resid 52 and name HD1*) 2.65 0.85 0.85 ! 0.5001 2188:20 Ambig 2.47, 3.08 A or (resid 52 and name HB2) (resid 52 and name HD2*) ! 0.4608 2188:20 ----- 2.50, 3.13 A assign (resid 94 and name HB2) (resid 94 and name HD1*) 2.65 0.85 0.85 ! 0.5110 2189:20 Ambig 2.36, 2.98 A or (resid 94 and name HG) (resid 94 and name HD1*) ! 0.4818 2189:20 ----- 2.38, 2.61 A assign (resid 52 and name HG) (resid 52 and name HD1*) 2.65 0.85 0.85 ! 0.5084 2190:20 Ambig 2.40, 2.62 A or (resid 52 and name HG) (resid 52 and name HD2*) ! 0.4825 2190:20 ----- 2.43, 2.63 A assign (resid 56 and name HG2*) (resid 94 and name HD1*) 3.65 1.85 1.85 ! 0.7327 2191:20 Ambig 4.95, 6.74 A or (resid 93 and name HG2*) (resid 94 and name HD1*) ! 0.1647 2191:20 ----- 6.35, 7.60 A or (resid 114 and name HB2) (resid 94 and name HD1*) ! 0.1026 2191:20 ----- 6.87, 8.23 A assign (resid 25 and name HB2) (resid 28 and name HD1*) 3.65 1.85 1.85 ! 0.8662 2192:20 Ambig 4.46, 6.04 A or (resid 46 and name HD2) (resid 28 and name HD1*) ! 0.0819 2192:20 ----- 6.61, 7.90 A assign (resid 28 and name HB2) (resid 28 and name HD1*) 2.65 0.85 0.85 ! 0.5448 2193:20 Ambig 2.31, 2.96 A or (resid 28 and name HG) (resid 28 and name HD1*) ! 0.4544 2193:20 ----- 2.39, 2.61 A assign (resid 93 and name HD1*) (resid 57 and name HG1) 3.15 1.35 1.35 ! 0.9918 2195:20 Long 2.23, 3.12 A assign (resid 60 and name HG) (resid 57 and name HG1) 3.15 1.35 1.35 ! 0.9356 2196:20 Mid 3.60, 3.95 A assign (resid 60 and name HD1*) (resid 57 and name HG1) 3.65 1.85 1.85 ! 0.9961 2197:20 Mid 3.44, 4.23 A assign (resid 28 and name HD2*) (resid 50 and name HB*) 3.65 1.85 1.85 ! 0.9814 2198:20 Long 4.22, 5.02 A assign (resid 93 and name HD1*) (resid 57 and name HG2) 2.65 0.85 0.85 ! 0.8787 2199:20 Ambig 2.89, 3.36 A or (resid 60 and name HD2*) (resid 57 and name HG2) ! 0.1213 2199:20 ----- 4.02, 4.62 A assign (resid 103 and name HG2*) (resid 95 and name HG) 3.15 1.35 1.35 ! 0.3973 2200:20 Ambig 4.41, 5.93 A or (resid 94 and name HD1*) (resid 95 and name HG) ! 0.3848 2200:20 ----- 4.43, 5.38 A or (resid 66 and name HD1*) (resid 118 and name HG) ! 0.1844 2200:20 ----- 5.01, 6.01 A assign (resid 118 and name HD2*) (resid 118 and name HG) 2.30 0.50 0.50 ! 0.5332 2201:20 Ambig 2.35, 2.61 A or (resid 118 and name HD1*) (resid 118 and name HG) ! 0.4668 2201:20 ----- 2.41, 2.62 A assign (resid 95 and name HD1*) (resid 111 and name HG) 2.65 0.85 0.85 ! 0.6327 2202:20 Ambig 2.19, 3.91 A or (resid 111 and name HD1*) (resid 111 and name HG) ! 0.3520 2202:20 ----- 2.42, 2.63 A assign (resid 52 and name HD1*) (resid 56 and name HG12) 3.65 1.85 1.85 ! 0.4863 2204:20 Ambig 5.77, 6.64 A or (resid 94 and name HD1*) (resid 56 and name HG12) ! 0.2677 2204:20 ----- 6.37, 7.47 A or (resid 52 and name HD2*) (resid 56 and name HG12) ! 0.2460 2204:20 ----- 6.46, 7.48 A assign (resid 119 and name HG2*) (resid 121 and name HG11) 2.65 0.85 0.85 ! 0.9660 2207:20 Mid 2.29, 3.05 A assign (resid 135 and name HD1*) (resid 135 and name HG) 2.30 0.50 0.50 ! 0.5079 2208:20 Ambig 2.39, 2.62 A or (resid 135 and name HD2*) (resid 135 and name HG) ! 0.4632 2208:20 ----- 2.43, 2.64 A assign (resid 18 and name HG2) (resid 69 and name HG11) 2.65 0.85 0.85 ! 0.0000 2209:20 Long 3.41, 3.64 A assign (resid 36 and name HD2*) (resid 36 and name HG) 2.30 0.50 0.50 ! 0.9937 2210:20 Intra 2.39, 2.63 A assign (resid 60 and name HD1*) (resid 56 and name HG11) 2.65 0.85 0.85 ! 0.4591 2212:20 Ambig 2.20, 3.29 A or (resid 94 and name HD1*) (resid 94 and name HG) ! 0.2797 2212:20 ----- 2.38, 2.61 A or (resid 28 and name HD2*) (resid 28 and name HG) ! 0.2516 2212:20 ----- 2.43, 2.64 A assign (resid 121 and name HD1*) (resid 121 and name HG12) 2.30 0.50 0.50 ! 0.4647 2214:20 Ambig 2.37, 2.61 A or (resid 119 and name HD1*) (resid 119 and name HG11) ! 0.4548 2214:20 ----- 2.38, 2.60 A assign (resid 66 and name HD1*) (resid 66 and name HG11) 2.65 0.85 0.85 ! 0.9978 2217:20 Intra 2.42, 2.63 A assign (resid 63 and name HD2*) (resid 63 and name HG) 2.65 0.85 0.85 ! 0.9983 2218:20 Intra 2.41, 2.63 A assign (resid 24 and name HD1*) (resid 64 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2220:20 Long 3.03, 4.53 A assign (resid 52 and name HD2*) (resid 118 and name HD1*) 2.65 0.85 0.85 ! 0.8817 2221:20 Ambig 2.04, 3.58 A or (resid 66 and name HD1*) (resid 118 and name HD1*) ! 0.0667 2221:20 ----- 3.14, 4.86 A assign (resid 58 and name HD1*) (resid 58 and name HG) 2.65 0.85 0.85 ! 0.0000 2222:20 Intra 2.36, 2.60 A assign (resid 32 and name HD1*) (resid 32 and name HG) 2.30 0.50 0.50 ! 0.5230 2223:20 Ambig 2.39, 2.64 A or (resid 32 and name HD2*) (resid 32 and name HG) ! 0.4677 2223:20 ----- 2.43, 2.64 A assign (resid 118 and name HD1*) (resid 52 and name HD2*) 2.30 0.50 0.50 ! 0.4739 2225:20 Ambig 2.04, 3.58 A or (resid 94 and name HD2*) (resid 52 and name HD1*) ! 0.3242 2225:20 ----- 2.18, 3.87 A or (resid 49 and name HG1*) (resid 52 and name HD2*) ! 0.0953 2225:20 ----- 2.67, 4.90 A or (resid 118 and name HD1*) (resid 52 and name HD1*) ! 0.0254 2225:20 ----- 3.33, 5.05 A assign (resid 49 and name HG1*) (resid 28 and name HD1*) 2.65 0.85 0.85 ! 0.9529 2226:20 Long 3.37, 5.03 A assign (resid 28 and name HD1*) (resid 28 and name HG) 2.65 0.85 0.85 ! 0.9633 2228:20 Intra 2.39, 2.61 A assign (resid 28 and name HD1*) (resid 25 and name HG*) 3.15 1.35 1.35 ! 0.9151 2229:20 Mid 3.19, 5.32 A assign (resid 63 and name HD1*) (resid 63 and name HG) 2.65 0.85 0.85 ! 0.0000 2230:20 Intra 2.37, 2.63 A assign (resid 63 and name HD1*) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2231:20 Seq 4.83, 6.57 A assign (resid 103 and name HD1*) (resid 103 and name HG12) 3.15 1.35 1.35 ! 0.0000 2232:20 Intra 2.41, 2.62 A assign (resid 103 and name HD1*) (resid 95 and name HD1*) 2.65 0.85 0.85 ! 0.6078 2234:20 Ambig 2.53, 4.16 A or (resid 103 and name HD1*) (resid 111 and name HD1*) ! 0.3639 2234:20 ----- 2.76, 3.61 A assign (resid 63 and name HD1*) (resid 60 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2235:20 Mid 5.14, 6.50 A assign (resid 66 and name HG2*) (resid 118 and name HD2*) 3.15 1.35 1.35 ! 0.0000 2236:20 Long 3.41, 5.72 A assign (resid 103 and name HD1*) (resid 103 and name HG11) 3.15 1.35 1.35 ! 0.0000 2239:20 Intra 2.44, 2.64 A assign (resid 71 and name HN) (resid 81 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2242:20 Long 6.33, 7.14 A assign (resid 66 and name HN) (resid 49 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2243:20 Long 6.91, 7.77 A assign (resid 80 and name HN) (resid 102 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2245:20 Long 3.49, 4.71 A assign (resid 66 and name HN) (resid 64 and name HG1*) 3.65 1.85 1.85 ! 0.9428 2246:20 Mid 3.79, 5.00 A assign (resid 71 and name HN) (resid 108 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2247:20 Long 6.51, 7.39 A assign (resid 103 and name HN) (resid 81 and name HG1*) 4.15 2.35 2.35 ! 0.8171 2251:20 Ambig 6.51, 7.07 A or (resid 79 and name HN) (resid 81 and name HG1*) ! 0.1829 2251:20 ----- 8.35, 9.01 A assign (resid 70 and name HN) (resid 81 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2252:20 Long 6.68, 7.77 A assign (resid 112 and name HN) (resid 112 and name HD2*) 3.15 1.35 1.35 ! 0.5768 2253:20 Ambig 3.66, 4.38 A or (resid 112 and name HN) (resid 112 and name HD1*) ! 0.3840 2253:20 ----- 3.92, 4.53 A assign (resid 50 and name HN) (resid 49 and name HG2*) 3.15 1.35 1.35 ! 0.8415 2254:20 Ambig 4.02, 4.64 A or (resid 53 and name HN) (resid 49 and name HG2*) ! 0.0670 2254:20 ----- 6.12, 6.67 A assign (resid 44 and name HN) (resid 32 and name HD2*) 3.65 1.85 1.85 ! 0.6483 2255:20 Ambig 3.99, 4.93 A or (resid 44 and name HN) (resid 32 and name HD1*) ! 0.2714 2255:20 ----- 4.61, 5.61 A assign (resid 45 and name HN) (resid 32 and name HD2*) 3.65 1.85 1.85 ! 0.7563 2256:20 Ambig 4.34, 5.52 A or (resid 45 and name HN) (resid 32 and name HD1*) ! 0.2088 2256:20 ----- 5.37, 6.69 A assign (resid 79 and name HN) (resid 104 and name HD2*) 3.15 1.35 1.35 ! 0.6026 2257:20 Ambig 4.44, 5.80 A or (resid 103 and name HN) (resid 104 and name HD2*) ! 0.3974 2257:20 ----- 4.75, 6.33 A assign (resid 50 and name HN) (resid 49 and name HG1*) 3.15 1.35 1.35 ! 0.5321 2258:20 Ambig 3.73, 4.49 A or (resid 53 and name HN) (resid 49 and name HG1*) ! 0.4679 2258:20 ----- 3.82, 4.77 A assign (resid 103 and name HN) (resid 102 and name HG1*) 2.65 0.85 0.85 ! 0.5796 2259:20 Ambig 3.44, 4.26 A or (resid 79 and name HN) (resid 102 and name HG1*) ! 0.4167 2259:20 ----- 3.64, 4.61 A assign (resid 22 and name HN) (resid 22 and name HG1*) 3.15 1.35 1.35 ! 0.9879 2260:20 Intra 2.95, 3.86 A assign (resid 23 and name HN) (resid 22 and name HG1*) 3.15 1.35 1.35 ! 0.9632 2261:20 Seq 4.03, 4.70 A assign (resid 50 and name HN) (resid 28 and name HD2*) 3.15 1.35 1.35 ! 0.5252 2262:20 Ambig 3.87, 4.43 A or (resid 53 and name HN) (resid 28 and name HD2*) ! 0.4748 2262:20 ----- 3.93, 5.55 A assign (resid 34 and name HN) (resid 36 and name HD2*) 3.65 1.85 1.85 ! 0.8893 2263:20 Ambig 5.94, 6.59 A or (resid 120 and name HN) (resid 36 and name HD2*) ! 0.1107 2263:20 ----- 8.41, 8.90 A assign (resid 112 and name HN) (resid 108 and name HG1*) 3.65 1.85 1.85 ! 0.9647 2264:20 Mid 3.91, 4.74 A assign (resid 70 and name HN) (resid 108 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2265:20 Long 6.29, 6.93 A assign (resid 79 and name HN) (resid 108 and name HG2*) 3.65 1.85 1.85 ! 0.6609 2266:20 Ambig 4.32, 4.90 A or (resid 103 and name HN) (resid 108 and name HG2*) ! 0.2863 2266:20 ----- 4.96, 5.44 A assign (resid 70 and name HN) (resid 108 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2267:20 Long 6.85, 7.65 A assign (resid 74 and name HN) (resid 126 and name HG2*) 3.65 1.85 1.85 ! 0.5725 2268:20 Ambig 4.49, 6.26 A or (resid 129 and name HN) (resid 126 and name HG2*) ! 0.2539 2268:20 ----- 5.14, 9.01 A or (resid 75 and name HN) (resid 126 and name HG2*) ! 0.1736 2268:20 ----- 5.48, 7.25 A assign (resid 82 and name HN) (resid 81 and name HG1*) 3.65 1.85 1.85 ! 0.9558 2269:20 Seq 3.16, 3.77 A assign (resid 91 and name HN) (resid 81 and name HG1*) 3.65 1.85 1.85 ! 0.5991 2270:20 Ambig 4.43, 5.29 A or (resid 87 and name HD21) (resid 81 and name HG1*) ! 0.4009 2270:20 ----- 4.74, 6.05 A assign (resid 28 and name HN) (resid 49 and name HG2*) 3.15 1.35 1.35 ! 0.7711 2272:20 Ambig 4.77, 5.87 A or (resid 52 and name HN) (resid 49 and name HG2*) ! 0.2289 2272:20 ----- 5.85, 6.32 A assign (resid 121 and name HN) (resid 112 and name HD2*) 3.15 1.35 1.35 ! 0.5043 2273:20 Ambig 4.72, 5.70 A or (resid 27 and name HN) (resid 49 and name HG2*) ! 0.3375 2273:20 ----- 5.05, 6.12 A or (resid 121 and name HN) (resid 112 and name HD1*) ! 0.0813 2273:20 ----- 6.40, 7.43 A assign (resid 95 and name HN) (resid 111 and name HD2*) 3.65 1.85 1.85 ! 0.6960 2274:20 Ambig 4.44, 5.50 A or (resid 77 and name HN) (resid 104 and name HD2*) ! 0.2942 2274:20 ----- 5.13, 6.70 A assign (resid 28 and name HN) (resid 32 and name HD2*) 3.65 1.85 1.85 ! 0.8084 2275:20 Ambig 5.04, 5.73 A or (resid 28 and name HN) (resid 32 and name HD1*) ! 0.1585 2275:20 ----- 6.61, 7.84 A assign (resid 31 and name HN) (resid 32 and name HD2*) 3.65 1.85 1.85 ! 0.6104 2276:20 Ambig 4.29, 5.32 A or (resid 27 and name HN) (resid 32 and name HD2*) ! 0.2353 2276:20 ----- 5.02, 5.92 A or (resid 31 and name HN) (resid 32 and name HD1*) ! 0.1360 2276:20 ----- 5.51, 6.23 A assign (resid 115 and name HN) (resid 111 and name HD2*) 3.15 1.35 1.35 ! 0.5595 2277:20 Ambig 5.05, 5.91 A or (resid 94 and name HN) (resid 111 and name HD2*) ! 0.3025 2277:20 ----- 5.60, 6.49 A or (resid 96 and name HN) (resid 111 and name HD2*) ! 0.1203 2277:20 ----- 6.53, 7.59 A assign (resid 111 and name HN) (resid 111 and name HD2*) 3.15 1.35 1.35 ! 0.9624 2278:20 Intra 3.53, 4.30 A assign (resid 28 and name HN) (resid 49 and name HG1*) 3.15 1.35 1.35 ! 0.9607 2279:20 Long 2.91, 4.08 A assign (resid 27 and name HN) (resid 49 and name HG1*) 3.65 1.85 1.85 ! 0.9511 2280:20 Long 4.08, 5.04 A assign (resid 94 and name HN) (resid 94 and name HD2*) 2.65 0.85 0.85 ! 0.9644 2281:20 Intra 3.39, 4.18 A assign (resid 95 and name HN) (resid 95 and name HD2*) 3.15 1.35 1.35 ! 0.0000 2282:20 Intra 3.71, 4.57 A assign (resid 65 and name HN) (resid 64 and name HG1*) 2.65 0.85 0.85 ! 0.9717 2283:20 Seq 2.80, 3.66 A assign (resid 111 and name HN) (resid 95 and name HD2*) 3.15 1.35 1.35 ! 0.9406 2284:20 Long 3.61, 4.72 A assign (resid 28 and name HN) (resid 28 and name HD2*) 3.15 1.35 1.35 ! 0.9239 2285:20 Intra 3.60, 4.35 A assign (resid 111 and name HN) (resid 108 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2287:20 Mid 5.13, 5.70 A assign (resid 109 and name HN) (resid 108 and name HG2*) 3.65 1.85 1.85 ! 0.9588 2288:20 Seq 4.09, 4.70 A assign (resid 119 and name HN) (resid 116 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2289:20 Mid 5.18, 6.13 A assign (resid 70 and name HE*) (resid 81 and name HG1*) 2.65 0.85 0.85 ! 0.9410 2292:20 Long 2.11, 5.00 A assign (resid 49 and name HN) (resid 49 and name HG2*) 2.65 0.85 0.85 ! 0.9995 2293:20 Intra 2.10, 3.06 A assign (resid 70 and name HD*) (resid 112 and name HD2*) 3.15 1.35 1.35 ! 0.5248 2295:20 Ambig 4.55, 7.30 A or (resid 119 and name HN) (resid 112 and name HD2*) ! 0.2965 2295:20 ----- 5.00, 5.78 A or (resid 70 and name HD*) (resid 112 and name HD1*) ! 0.0992 2295:20 ----- 6.00, 8.62 A assign (resid 49 and name HN) (resid 32 and name HD2*) 3.65 1.85 1.85 ! 0.7870 2296:20 Ambig 5.31, 5.98 A or (resid 49 and name HN) (resid 32 and name HD1*) ! 0.1786 2296:20 ----- 6.80, 7.70 A assign (resid 14 and name HD*) (resid 10 and name HD2*) 3.15 1.35 1.35 ! 0.8976 2297:20 Ambig 3.10, 6.53 A or (resid 142 and name HD2) (resid 139 and name HD2*) ! 0.0836 2297:20 ----- 4.61, 9.70 A assign (resid 115 and name HD*) (resid 111 and name HD2*) 3.15 1.35 1.35 ! 0.9913 2298:20 Mid 2.58, 5.53 A assign (resid 49 and name HN) (resid 49 and name HG1*) 3.15 1.35 1.35 ! 0.7978 2299:20 Ambig 4.41, 4.55 A or (resid 25 and name HN) (resid 49 and name HG1*) ! 0.1833 2299:20 ----- 5.63, 6.04 A assign (resid 33 and name HN) (resid 22 and name HG1*) 2.65 0.85 0.85 ! 0.6530 2300:20 Ambig 3.49, 5.00 A or (resid 64 and name HN) (resid 64 and name HG1*) ! 0.1818 2300:20 ----- 4.32, 4.53 A or (resid 24 and name HN) (resid 64 and name HG1*) ! 0.1343 2300:20 ----- 4.54, 5.59 A assign (resid 80 and name HE*) (resid 102 and name HG1*) 3.15 1.35 1.35 ! 0.7932 2301:20 Ambig 3.29, 4.53 A or (resid 80 and name HZ) (resid 102 and name HG1*) ! 0.2068 2301:20 ----- 4.11, 4.71 A assign (resid 68 and name HD*) (resid 64 and name HG1*) 3.15 1.35 1.35 ! 0.6771 2302:20 Ambig 3.96, 5.57 A or (resid 32 and name HN) (resid 22 and name HG1*) ! 0.2661 2302:20 ----- 4.63, 5.95 A assign (resid 80 and name HD*) (resid 102 and name HG1*) 3.15 1.35 1.35 ! 0.9919 2303:20 Long 2.79, 4.22 A assign (resid 70 and name HE*) (resid 81 and name HG2*) 2.65 0.85 0.85 ! 0.7409 2304:20 Ambig 2.00, 5.17 A or (resid 70 and name HD*) (resid 81 and name HG2*) ! 0.2591 2304:20 ----- 2.38, 5.51 A assign (resid 68 and name HE*) (resid 64 and name HG1*) 2.65 0.85 0.85 ! 0.9996 2305:20 Mid 2.44, 4.22 A assign (resid 49 and name HN) (resid 28 and name HD2*) 3.65 1.85 1.85 ! 0.8112 2309:20 Ambig 5.18, 5.99 A or (resid 25 and name HN) (resid 28 and name HD2*) ! 0.1385 2309:20 ----- 6.96, 7.49 A assign (resid 54 and name HN) (resid 28 and name HD2*) 3.65 1.85 1.85 ! 0.6744 2310:20 Ambig 5.36, 6.99 A or (resid 61 and name HZ2) (resid 28 and name HD2*) ! 0.2586 2310:20 ----- 6.29, 7.61 A assign (resid 61 and name HE3) (resid 28 and name HD2*) 3.65 1.85 1.85 ! 0.7550 2311:20 Ambig 5.85, 6.51 A or (resid 48 and name HN) (resid 28 and name HD2*) ! 0.2450 2311:20 ----- 7.05, 7.90 A assign (resid 61 and name HZ3) (resid 28 and name HD2*) 3.15 1.35 1.35 ! 0.5246 2312:20 Ambig 5.09, 6.00 A or (resid 37 and name HD21) (resid 36 and name HD2*) ! 0.4754 2312:20 ----- 5.18, 6.92 A assign (resid 108 and name HN) (resid 108 and name HG1*) 3.15 1.35 1.35 ! 0.9324 2313:20 Intra 4.43, 4.56 A assign (resid 86 and name HD1) (resid 63 and name HD2*) 3.15 1.35 1.35 ! 0.7897 2314:20 Ambig 3.68, 4.86 A or (resid 86 and name HE3) (resid 63 and name HD2*) ! 0.1013 2314:20 ----- 5.18, 6.18 A or (resid 64 and name HN) (resid 63 and name HD2*) ! 0.1012 2314:20 ----- 5.18, 5.74 A assign (resid 86 and name HH2) (resid 63 and name HD2*) 3.65 1.85 1.85 ! 0.6364 2315:20 Ambig 4.85, 5.96 A or (resid 86 and name HZ3) (resid 63 and name HD2*) ! 0.3026 2315:20 ----- 5.49, 6.58 A assign (resid 70 and name HD*) (resid 108 and name HG1*) 2.65 0.85 0.85 ! 0.9856 2316:20 Long 3.27, 5.19 A assign (resid 59 and name HD*) (resid 63 and name HD2*) 4.15 2.35 2.35 ! 0.0000 2317:20 Mid 7.53, 8.90 A assign (resid 86 and name HE3) (resid 63 and name HD1*) 3.15 1.35 1.35 ! 0.8398 2318:20 Ambig 3.09, 4.07 A or (resid 86 and name HD1) (resid 63 and name HD1*) ! 0.0964 2318:20 ----- 4.43, 5.62 A assign (resid 86 and name HZ3) (resid 63 and name HD1*) 3.15 1.35 1.35 ! 0.5472 2319:20 Ambig 3.45, 4.32 A or (resid 86 and name HH2) (resid 63 and name HD1*) ! 0.2871 2319:20 ----- 3.84, 4.64 A or (resid 60 and name HN) (resid 63 and name HD1*) ! 0.1641 2319:20 ----- 4.22, 5.31 A assign (resid 59 and name HD*) (resid 63 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2320:20 Mid 5.34, 6.50 A assign (resid 108 and name HN) (resid 108 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2321:20 Intra 2.05, 3.02 A assign (resid 70 and name HD*) (resid 108 and name HG2*) 3.15 1.35 1.35 ! 0.9720 2322:20 Long 3.95, 5.13 A assign (resid 70 and name HZ) (resid 81 and name HG1*) 3.65 1.85 1.85 ! 0.9739 2323:20 Long 3.72, 4.87 A assign (resid 115 and name HE*) (resid 111 and name HD2*) 2.65 0.85 0.85 ! 0.9691 2324:20 Mid 2.38, 5.31 A assign (resid 42 and name HD2) (resid 32 and name HD2*) 4.15 2.35 2.35 ! 0.6905 2325:20 Ambig 7.57, 8.42 A or (resid 42 and name HD2) (resid 32 and name HD1*) ! 0.3095 2325:20 ----- 8.65, 9.84 A assign (resid 79 and name HD*) (resid 102 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2326:20 Long 6.32, 7.84 A assign (resid 68 and name HZ) (resid 64 and name HG1*) 2.65 0.85 0.85 ! 0.9984 2327:20 Mid 2.76, 3.65 A assign (resid 120 and name HE*) (resid 36 and name HD2*) 3.15 1.35 1.35 ! 0.9629 2328:20 Long 2.45, 4.23 A assign (resid 79 and name HE*) (resid 108 and name HG1*) 3.15 1.35 1.35 ! 0.9244 2329:20 Long 3.19, 4.99 A assign (resid 59 and name HE*) (resid 63 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2330:20 Mid 7.64, 8.71 A assign (resid 79 and name HD*) (resid 108 and name HG2*) 2.65 0.85 0.85 ! 0.9735 2331:20 Long 2.54, 4.01 A assign (resid 70 and name HA) (resid 81 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2333:20 Long 4.87, 5.81 A assign (resid 120 and name HZ) (resid 36 and name HD2*) 3.15 1.35 1.35 ! 0.0000 2334:20 Long 2.22, 3.35 A assign (resid 70 and name HA) (resid 108 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2335:20 Long 5.89, 6.58 A assign (resid 104 and name HA) (resid 104 and name HD2*) 2.65 0.85 0.85 ! 0.0000 2337:20 Intra 2.08, 2.98 A assign (resid 78 and name HA) (resid 104 and name HD2*) 3.15 1.35 1.35 ! 0.9884 2338:20 Long 3.03, 4.39 A assign (resid 80 and name HA) (resid 102 and name HG1*) 2.65 0.85 0.85 ! 0.6716 2339:20 Ambig 2.11, 3.19 A or (resid 102 and name HA) (resid 102 and name HG1*) ! 0.3275 2339:20 ----- 2.38, 2.98 A assign (resid 22 and name HA) (resid 22 and name HG1*) 2.65 0.85 0.85 ! 0.8896 2340:20 Ambig 2.53, 3.14 A or (resid 21 and name HA) (resid 22 and name HG1*) ! 0.1104 2340:20 ----- 3.58, 4.80 A assign (resid 79 and name HA) (resid 102 and name HG1*) 3.15 1.35 1.35 ! 0.7472 2341:20 Ambig 4.07, 5.20 A or (resid 78 and name HA) (resid 102 and name HG1*) ! 0.2392 2341:20 ----- 4.92, 5.79 A assign (resid 41 and name HA) (resid 36 and name HD2*) 3.65 1.85 1.85 ! 0.0000 2344:20 Long 4.69, 5.26 A assign (resid 42 and name HA) (resid 36 and name HD2*) 3.65 1.85 1.85 ! 0.0000 2345:20 Long 4.62, 5.85 A assign (resid 104 and name HA) (resid 108 and name HG2*) 3.65 1.85 1.85 ! 0.9090 2346:20 Mid 4.66, 5.70 A assign (resid 79 and name HA) (resid 108 and name HG2*) 3.65 1.85 1.85 ! 0.6188 2347:20 Ambig 4.68, 5.57 A or (resid 78 and name HA) (resid 108 and name HG2*) ! 0.3309 2347:20 ----- 5.20, 5.93 A assign (resid 116 and name HB) (resid 116 and name HG2*) 2.30 0.50 0.50 ! 0.9994 2348:20 Intra 2.44, 2.66 A assign (resid 116 and name HA) (resid 116 and name HG2*) 2.30 0.50 0.50 ! 0.9596 2349:20 Intra 2.36, 3.05 A assign (resid 126 and name HA) (resid 126 and name HG2*) 2.30 0.50 0.50 ! 0.9085 2351:20 Intra 2.38, 3.59 A assign (resid 81 and name HA) (resid 81 and name HG1*) 2.65 0.85 0.85 ! 0.9664 2352:20 Intra 2.45, 3.08 A assign (resid 130 and name HA) (resid 130 and name HG2*) 2.30 0.50 0.50 ! 0.5326 2353:20 Ambig 2.34, 3.30 A or (resid 130 and name HB) (resid 130 and name HG2*) ! 0.4674 2353:20 ----- 2.39, 2.64 A assign (resid 86 and name HA) (resid 60 and name HD2*) 2.65 0.85 0.85 ! 0.9760 2354:20 Long 3.15, 4.47 A assign (resid 135 and name HA) (resid 135 and name HD2*) 2.30 0.50 0.50 ! 0.8472 2355:20 Ambig 2.10, 3.21 A or (resid 132 and name HA) (resid 135 and name HD2*) ! 0.0827 2355:20 ----- 3.09, 5.53 A assign (resid 116 and name HA) (resid 112 and name HD2*) 2.65 0.85 0.85 ! 0.8073 2356:20 Ambig 3.74, 4.49 A or (resid 116 and name HA) (resid 112 and name HD1*) ! 0.0473 2356:20 ----- 5.99, 6.76 A or (resid 113 and name HA) (resid 112 and name HD2*) ! 0.0426 2356:20 ----- 6.10, 6.77 A or (resid 113 and name HA) (resid 112 and name HD1*) ! 0.0353 2356:20 ----- 6.30, 6.91 A assign (resid 32 and name HA) (resid 32 and name HD2*) 2.65 0.85 0.85 ! 0.9739 2357:20 Intra 2.02, 2.96 A assign (resid 27 and name HA) (resid 32 and name HD2*) 3.15 1.35 1.35 ! 0.9799 2358:20 Long 2.54, 3.57 A assign (resid 111 and name HA) (resid 111 and name HD2*) 2.65 0.85 0.85 ! 0.9984 2359:20 Intra 2.11, 2.97 A assign (resid 10 and name HA) (resid 10 and name HD2*) 2.30 0.50 0.50 ! 0.4920 2360:20 Ambig 2.06, 3.39 A or (resid 139 and name HA) (resid 139 and name HD2*) ! 0.4878 2360:20 ----- 2.07, 2.94 A assign (resid 103 and name HA) (resid 104 and name HD2*) 3.15 1.35 1.35 ! 0.0000 2361:20 Seq 3.33, 5.15 A assign (resid 94 and name HA) (resid 94 and name HD2*) 2.65 0.85 0.85 ! 0.9984 2362:20 Intra 2.15, 3.00 A assign (resid 87 and name HA) (resid 64 and name HG1*) 2.65 0.85 0.85 ! 0.9921 2363:20 Long 2.15, 3.21 A assign (resid 103 and name HA) (resid 81 and name HG2*) 3.15 1.35 1.35 ! 0.9445 2364:20 Long 4.92, 5.44 A assign (resid 103 and name HA) (resid 102 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2365:20 Seq 5.76, 6.29 A assign (resid 95 and name HA) (resid 95 and name HD2*) 2.30 0.50 0.50 ! 0.9314 2366:20 Intra 2.10, 2.94 A assign (resid 81 and name HA) (resid 81 and name HG2*) 2.65 0.85 0.85 ! 0.9645 2367:20 Intra 2.51, 3.20 A assign (resid 64 and name HA) (resid 64 and name HG1*) 2.30 0.50 0.50 ! 0.9948 2368:20 Intra 2.54, 3.16 A assign (resid 36 and name HA) (resid 36 and name HD2*) 2.65 0.85 0.85 ! 0.8697 2369:20 Ambig 2.14, 2.99 A or (resid 16 and name HA) (resid 36 and name HD2*) ! 0.1274 2369:20 ----- 2.94, 4.60 A assign (resid 18 and name HA) (resid 36 and name HD2*) 2.65 0.85 0.85 ! 0.9974 2370:20 Long 2.12, 3.11 A assign (resid 63 and name HA) (resid 63 and name HD2*) 2.65 0.85 0.85 ! 0.9987 2371:20 Intra 2.07, 2.95 A assign (resid 105 and name HA) (resid 108 and name HG1*) 3.15 1.35 1.35 ! 0.9234 2372:20 Mid 4.32, 5.06 A assign (resid 62 and name HB1) (resid 63 and name HD2*) 3.15 1.35 1.35 ! 0.4879 2373:20 Ambig 4.88, 6.33 A or (resid 60 and name HA) (resid 63 and name HD2*) ! 0.4181 2373:20 ----- 5.01, 5.20 A assign (resid 86 and name HA) (resid 63 and name HD1*) 3.65 1.85 1.85 ! 0.8670 2374:20 Ambig 4.85, 5.78 A or (resid 62 and name HA) (resid 63 and name HD1*) ! 0.1003 2374:20 ----- 6.95, 7.44 A assign (resid 63 and name HA) (resid 63 and name HD1*) 3.15 1.35 1.35 ! 0.5279 2375:20 Ambig 4.35, 4.65 A or (resid 59 and name HA) (resid 63 and name HD1*) ! 0.4721 2375:20 ----- 4.43, 5.32 A assign (resid 60 and name HA) (resid 63 and name HD1*) 2.65 0.85 0.85 ! 0.9991 2376:20 Mid 2.06, 3.24 A assign (resid 103 and name HA) (resid 108 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2377:20 Long 5.66, 6.47 A assign (resid 105 and name HA) (resid 108 and name HG2*) 3.15 1.35 1.35 ! 0.9951 2378:20 Mid 2.97, 3.75 A assign (resid 88 and name HA) (resid 81 and name HG1*) 2.65 0.85 0.85 ! 0.9923 2379:20 Long 2.04, 2.96 A assign (resid 87 and name HB1) (resid 81 and name HG1*) 3.15 1.35 1.35 ! 0.9757 2381:20 Long 3.44, 4.26 A assign (resid 106 and name HA) (resid 106 and name HG2*) 2.65 0.85 0.85 ! 0.9085 2382:20 Intra 2.50, 3.13 A assign (resid 112 and name HA) (resid 112 and name HD2*) 2.30 0.50 0.50 ! 0.9901 2383:20 Intra 2.04, 2.93 A assign (resid 49 and name HA) (resid 49 and name HG2*) 2.65 0.85 0.85 ! 0.9965 2384:20 Intra 2.53, 3.16 A assign (resid 28 and name HA) (resid 32 and name HD2*) 3.15 1.35 1.35 ! 0.5126 2385:20 Ambig 4.12, 5.39 A or (resid 44 and name HA) (resid 32 and name HD2*) ! 0.2338 2385:20 ----- 4.70, 5.65 A or (resid 28 and name HA) (resid 32 and name HD1*) ! 0.1791 2385:20 ----- 4.91, 6.58 A assign (resid 46 and name HA) (resid 32 and name HD2*) 3.15 1.35 1.35 ! 0.8440 2386:20 Ambig 2.45, 3.22 A or (resid 46 and name HA) (resid 32 and name HD1*) ! 0.1560 2386:20 ----- 3.25, 4.66 A assign (resid 28 and name HA) (resid 49 and name HG1*) 3.15 1.35 1.35 ! 0.8941 2387:20 Ambig 3.66, 4.82 A or (resid 25 and name HA) (resid 49 and name HG1*) ! 0.0996 2387:20 ----- 5.27, 5.98 A assign (resid 49 and name HA) (resid 49 and name HG1*) 2.65 0.85 0.85 ! 0.9850 2388:20 Intra 2.56, 3.12 A assign (resid 57 and name HD2) (resid 94 and name HD2*) 3.15 1.35 1.35 ! 0.3791 2389:20 Ambig 5.29, 6.10 A or (resid 91 and name HA) (resid 94 and name HD2*) ! 0.3159 2389:20 ----- 5.46, 5.70 A or (resid 53 and name HA) (resid 94 and name HD2*) ! 0.2663 2389:20 ----- 5.62, 6.67 A assign (resid 24 and name HA) (resid 49 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2390:20 Long 2.65, 3.34 A assign (resid 28 and name HA) (resid 28 and name HD2*) 2.30 0.50 0.50 ! 0.9963 2391:20 Intra 2.14, 3.03 A assign (resid 62 and name HB2) (resid 63 and name HD2*) 3.65 1.85 1.85 ! 0.0000 2392:20 Seq 3.59, 4.96 A assign (resid 86 and name HB1) (resid 63 and name HD2*) 3.65 1.85 1.85 ! 0.0000 2393:20 Long 4.92, 5.62 A assign (resid 72 and name HA) (resid 108 and name HG2*) 3.65 1.85 1.85 ! 0.6812 2394:20 Ambig 5.52, 6.67 A or (resid 77 and name HA2) (resid 108 and name HG2*) ! 0.1982 2394:20 ----- 6.79, 7.76 A or (resid 112 and name HA) (resid 108 and name HG2*) ! 0.1205 2394:20 ----- 7.37, 8.30 A assign (resid 74 and name HB1) (resid 126 and name HG2*) 3.65 1.85 1.85 ! 0.5116 2396:20 Ambig 2.21, 4.08 A or (resid 124 and name HB1) (resid 126 and name HG2*) ! 0.3687 2396:20 ----- 2.33, 4.80 A or (resid 124 and name HB2) (resid 126 and name HG2*) ! 0.0750 2396:20 ----- 3.04, 5.39 A assign (resid 88 and name HE2) (resid 81 and name HG1*) 2.65 0.85 0.85 ! 0.7280 2397:20 Ambig 3.35, 4.52 A or (resid 88 and name HE1) (resid 81 and name HG1*) ! 0.2469 2397:20 ----- 4.01, 5.20 A assign (resid 87 and name HB2) (resid 81 and name HG1*) 3.15 1.35 1.35 ! 0.6117 2398:20 Ambig 3.83, 4.85 A or (resid 68 and name HB1) (resid 81 and name HG1*) ! 0.3883 2398:20 ----- 4.13, 5.23 A assign (resid 45 and name HE*) (resid 32 and name HD1*) 3.65 1.85 1.85 ! 0.3208 2399:20 Ambig 4.33, 6.55 A or (resid 46 and name HE2) (resid 32 and name HD2*) ! 0.2451 2399:20 ----- 4.53, 6.20 A or (resid 46 and name HE2) (resid 32 and name HD1*) ! 0.1746 2399:20 ----- 4.80, 6.35 A or (resid 45 and name HE*) (resid 32 and name HD2*) ! 0.1677 2399:20 ----- 4.83, 6.97 A assign (resid 55 and name HD*) (resid 94 and name HD2*) 2.65 0.85 0.85 ! 0.9989 2400:20 Long 2.51, 4.14 A assign (resid 31 and name HE*) (resid 22 and name HG1*) 2.65 0.85 0.85 ! 0.5100 2401:20 Ambig 1.98, 5.16 A or (resid 110 and name HE*) (resid 95 and name HD2*) ! 0.3687 2401:20 ----- 2.09, 4.73 A or (resid 107 and name HB1) (resid 95 and name HD2*) ! 0.0823 2401:20 ----- 2.68, 4.09 A assign (resid 101 and name HB2) (resid 102 and name HG1*) 3.65 1.85 1.85 ! 0.7150 2402:20 Ambig 2.53, 4.18 A or (resid 101 and name HB1) (resid 102 and name HG1*) ! 0.2548 2402:20 ----- 3.00, 4.51 A assign (resid 26 and name HB2) (resid 22 and name HG1*) 2.65 0.85 0.85 ! 0.6522 2403:20 Ambig 3.77, 4.41 A or (resid 107 and name HB2) (resid 95 and name HD2*) ! 0.2575 2403:20 ----- 4.40, 5.73 A assign (resid 53 and name HB2) (resid 28 and name HD2*) 3.15 1.35 1.35 ! 0.9913 2404:20 Long 3.83, 5.18 A assign (resid 42 and name HB*) (resid 36 and name HD2*) 2.30 0.50 0.50 ! 0.8086 2405:20 Ambig 2.29, 3.66 A or (resid 53 and name HB1) (resid 28 and name HD2*) ! 0.1864 2405:20 ----- 2.93, 4.66 A assign (resid 108 and name HA) (resid 108 and name HG1*) 2.65 0.85 0.85 ! 0.9274 2406:20 Intra 2.55, 3.16 A assign (resid 86 and name HB2) (resid 63 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2407:20 Long 4.70, 5.68 A assign (resid 108 and name HA) (resid 108 and name HG2*) 2.65 0.85 0.85 ! 0.8464 2408:20 Ambig 2.45, 3.08 A or (resid 70 and name HB1) (resid 108 and name HG2*) ! 0.0905 2408:20 ----- 3.55, 4.38 A assign (resid 79 and name HB1) (resid 108 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2409:20 Long 2.98, 3.86 A assign (resid 81 and name HB) (resid 81 and name HG1*) 2.30 0.50 0.50 ! 0.6894 2410:20 Ambig 2.41, 2.66 A or (resid 91 and name HB) (resid 81 and name HG1*) ! 0.1799 2410:20 ----- 3.02, 4.17 A or (resid 88 and name HB1) (resid 81 and name HG1*) ! 0.0797 2410:20 ----- 3.46, 4.47 A assign (resid 88 and name HD1) (resid 81 and name HG1*) 3.15 1.35 1.35 ! 0.8080 2411:20 Ambig 4.32, 5.13 A or (resid 90 and name HB*) (resid 81 and name HG1*) ! 0.1482 2411:20 ----- 5.73, 7.39 A assign (resid 106 and name HB) (resid 106 and name HG1*) 2.30 0.50 0.50 ! 0.5030 2412:20 Ambig 2.38, 2.62 A or (resid 106 and name HB) (resid 106 and name HG2*) ! 0.4970 2412:20 ----- 2.38, 2.63 A assign (resid 109 and name HG2) (resid 112 and name HD1*) 2.65 0.85 0.85 ! 0.8747 2413:20 Ambig 2.26, 3.88 A or (resid 48 and name HB2) (resid 49 and name HG2*) ! 0.0992 2413:20 ----- 3.25, 4.45 A assign (resid 49 and name HB) (resid 49 and name HG2*) 2.30 0.50 0.50 ! 0.8861 2414:20 Ambig 2.43, 2.63 A or (resid 109 and name HB*) (resid 112 and name HD1*) ! 0.0581 2414:20 ----- 3.83, 5.65 A assign (resid 32 and name HB1) (resid 32 and name HD2*) 2.65 0.85 0.85 ! 0.5754 2415:20 Ambig 2.41, 3.04 A or (resid 32 and name HB1) (resid 32 and name HD1*) ! 0.4213 2415:20 ----- 2.54, 3.11 A assign (resid 78 and name HG2) (resid 104 and name HD2*) 2.30 0.50 0.50 ! 0.5858 2416:20 Ambig 2.00, 3.13 A or (resid 111 and name HG) (resid 111 and name HD2*) ! 0.1803 2416:20 ----- 2.44, 2.64 A or (resid 111 and name HB1) (resid 111 and name HD2*) ! 0.1722 2416:20 ----- 2.45, 3.07 A assign (resid 46 and name HB2) (resid 32 and name HD1*) 3.15 1.35 1.35 ! 0.5481 2417:20 Ambig 1.98, 2.78 A or (resid 46 and name HB2) (resid 32 and name HD2*) ! 0.3997 2417:20 ----- 2.08, 3.04 A assign (resid 139 and name HG) (resid 139 and name HD2*) 2.30 0.50 0.50 ! 0.3680 2418:20 Ambig 2.36, 2.63 A or (resid 10 and name HG) (resid 10 and name HD2*) ! 0.3253 2418:20 ----- 2.41, 2.63 A or (resid 139 and name HB1) (resid 139 and name HD2*) ! 0.2576 2418:20 ----- 2.51, 3.14 A assign (resid 104 and name HG) (resid 104 and name HD2*) 2.30 0.50 0.50 ! 0.5614 2419:20 Ambig 2.41, 2.64 A or (resid 104 and name HB2) (resid 104 and name HD2*) ! 0.4186 2419:20 ----- 2.53, 3.79 A assign (resid 56 and name HB) (resid 94 and name HD2*) 2.30 0.50 0.50 ! 0.5940 2420:20 Ambig 2.32, 3.50 A or (resid 94 and name HB1) (resid 94 and name HD2*) ! 0.3981 2420:20 ----- 2.48, 3.09 A assign (resid 22 and name HB) (resid 22 and name HG1*) 2.65 0.85 0.85 ! 0.9400 2421:20 Intra 2.31, 2.60 A assign (resid 95 and name HG) (resid 95 and name HD2*) 2.30 0.50 0.50 ! 0.5191 2422:20 Ambig 2.44, 2.65 A or (resid 110 and name HB*) (resid 95 and name HD2*) ! 0.4346 2422:20 ----- 2.51, 3.73 A assign (resid 102 and name HB) (resid 102 and name HG1*) 2.30 0.50 0.50 ! 0.9847 2423:20 Intra 2.36, 2.62 A assign (resid 50 and name HG2) (resid 28 and name HD2*) 3.15 1.35 1.35 ! 0.0000 2425:20 Long 2.25, 2.80 A assign (resid 50 and name HG1) (resid 28 and name HD2*) 2.65 0.85 0.85 ! 0.9827 2426:20 Long 3.10, 3.64 A assign (resid 49 and name HB) (resid 28 and name HD2*) 2.65 0.85 0.85 ! 0.9988 2427:20 Long 2.87, 3.89 A assign (resid 28 and name HB1) (resid 28 and name HD2*) 2.65 0.85 0.85 ! 0.9802 2428:20 Intra 2.40, 3.05 A assign (resid 79 and name HB2) (resid 108 and name HG1*) 3.15 1.35 1.35 ! 0.5527 2429:20 Ambig 4.27, 5.22 A or (resid 109 and name HG1) (resid 108 and name HG1*) ! 0.4473 2429:20 ----- 4.42, 5.66 A assign (resid 111 and name HB1) (resid 108 and name HG1*) 3.65 1.85 1.85 ! 0.4720 2430:20 Ambig 4.79, 5.80 A or (resid 111 and name HG) (resid 108 and name HG1*) ! 0.2223 2430:20 ----- 5.43, 6.27 A or (resid 109 and name HB*) (resid 108 and name HG1*) ! 0.1975 2430:20 ----- 5.54, 6.78 A or (resid 103 and name HB) (resid 108 and name HG1*) ! 0.0587 2430:20 ----- 6.78, 7.49 A assign (resid 60 and name HB1) (resid 63 and name HD1*) 3.15 1.35 1.35 ! 0.7694 2431:20 Ambig 3.93, 5.11 A or (resid 85 and name HG1) (resid 63 and name HD1*) ! 0.1243 2431:20 ----- 5.32, 6.62 A or (resid 57 and name HB2) (resid 63 and name HD1*) ! 0.0418 2431:20 ----- 6.38, 7.52 A assign (resid 103 and name HB) (resid 108 and name HG2*) 3.15 1.35 1.35 ! 0.7521 2432:20 Ambig 3.67, 4.68 A or (resid 111 and name HG) (resid 108 and name HG2*) ! 0.1057 2432:20 ----- 5.09, 6.05 A or (resid 111 and name HB1) (resid 108 and name HG2*) ! 0.0644 2432:20 ----- 5.53, 6.76 A assign (resid 88 and name HG2) (resid 81 and name HG1*) 2.30 0.50 0.50 ! 0.6023 2433:20 Ambig 2.07, 2.89 A or (resid 91 and name HG11) (resid 81 and name HG1*) ! 0.3119 2433:20 ----- 2.31, 2.94 A assign (resid 135 and name HG) (resid 135 and name HD2*) 2.30 0.50 0.50 ! 0.4859 2434:20 Ambig 2.43, 2.64 A or (resid 135 and name HB*) (resid 135 and name HD2*) ! 0.4289 2434:20 ----- 2.48, 3.52 A assign (resid 27 and name HB*) (resid 49 and name HG2*) 2.30 0.50 0.50 ! 0.9571 2435:20 Long 2.02, 3.69 A assign (resid 46 and name HD1) (resid 32 and name HD1*) 2.65 0.85 0.85 ! 0.4331 2436:20 Ambig 2.17, 4.31 A or (resid 46 and name HD2) (resid 32 and name HD1*) ! 0.3132 2436:20 ----- 2.29, 3.93 A or (resid 44 and name HB) (resid 32 and name HD2*) ! 0.1181 2436:20 ----- 2.69, 3.41 A or (resid 46 and name HD2) (resid 32 and name HD2*) ! 0.0802 2436:20 ----- 2.87, 4.38 A assign (resid 32 and name HB2) (resid 32 and name HD1*) 2.30 0.50 0.50 ! 0.0000 2437:20 Intra 2.30, 2.98 A assign (resid 27 and name HB*) (resid 49 and name HG1*) 2.30 0.50 0.50 ! 0.9789 2438:20 Long 1.94, 3.71 A assign (resid 31 and name HD*) (resid 22 and name HG1*) 2.30 0.50 0.50 ! 0.5230 2439:20 Ambig 2.78, 5.24 A or (resid 90 and name HB*) (resid 64 and name HG1*) ! 0.4610 2439:20 ----- 2.84, 4.13 A assign (resid 31 and name HB2) (resid 22 and name HG1*) 2.65 0.85 0.85 ! 0.8230 2440:20 Ambig 2.75, 3.96 A or (resid 95 and name HB2) (resid 95 and name HD2*) ! 0.1491 2440:20 ----- 3.66, 3.90 A assign (resid 31 and name HG*) (resid 22 and name HG1*) 2.65 0.85 0.85 ! 0.7270 2441:20 Ambig 3.37, 5.13 A or (resid 110 and name HG2) (resid 95 and name HD2*) ! 0.1145 2441:20 ----- 4.59, 5.55 A or (resid 27 and name HB*) (resid 22 and name HG1*) ! 0.1008 2441:20 ----- 4.69, 6.54 A assign (resid 28 and name HG) (resid 28 and name HD2*) 2.30 0.50 0.50 ! 0.7978 2442:20 Ambig 2.43, 2.64 A or (resid 46 and name HG2) (resid 28 and name HD2*) ! 0.1080 2442:20 ----- 3.39, 4.67 A assign (resid 36 and name HG) (resid 36 and name HD2*) 2.30 0.50 0.50 ! 0.9662 2443:20 Intra 2.39, 2.63 A assign (resid 112 and name HG) (resid 108 and name HG1*) 2.30 0.50 0.50 ! 0.6843 2445:20 Ambig 2.15, 3.12 A or (resid 108 and name HB) (resid 108 and name HG1*) ! 0.3150 2445:20 ----- 2.44, 2.65 A assign (resid 111 and name HB2) (resid 108 and name HG1*) 3.15 1.35 1.35 ! 0.5544 2446:20 Ambig 3.60, 4.46 A or (resid 121 and name HG11) (resid 108 and name HG1*) ! 0.2974 2446:20 ----- 3.99, 4.43 A or (resid 112 and name HB1) (resid 108 and name HG1*) ! 0.0776 2446:20 ----- 4.99, 6.00 A assign (resid 63 and name HG) (resid 63 and name HD2*) 2.65 0.85 0.85 ! 0.9906 2447:20 Intra 2.41, 2.63 A assign (resid 63 and name HG) (resid 63 and name HD1*) 2.30 0.50 0.50 ! 0.9993 2448:20 Intra 2.37, 2.63 A assign (resid 108 and name HB) (resid 108 and name HG2*) 2.65 0.85 0.85 ! 0.9840 2449:20 Intra 2.41, 2.62 A assign (resid 103 and name HG12) (resid 108 and name HG2*) 2.65 0.85 0.85 ! 0.7754 2450:20 Ambig 3.70, 4.23 A or (resid 121 and name HG2*) (resid 108 and name HG2*) ! 0.1016 2450:20 ----- 5.20, 7.34 A or (resid 72 and name HG2) (resid 108 and name HG2*) ! 0.0819 2450:20 ----- 5.39, 7.77 A assign (resid 112 and name HD2*) (resid 116 and name HG2*) 2.30 0.50 0.50 ! 0.7955 2451:20 Ambig 3.83, 5.93 A or (resid 112 and name HD1*) (resid 116 and name HG2*) ! 0.1147 2451:20 ----- 5.29, 7.58 A assign (resid 91 and name HD1*) (resid 81 and name HG1*) 2.65 0.85 0.85 ! 0.0000 2453:20 Long 3.96, 5.21 A assign (resid 32 and name HG) (resid 32 and name HD1*) 2.30 0.50 0.50 ! 0.5194 2455:20 Ambig 2.39, 2.64 A or (resid 32 and name HG) (resid 32 and name HD2*) ! 0.4645 2455:20 ----- 2.43, 2.64 A assign (resid 28 and name HD2*) (resid 49 and name HG1*) 2.30 0.50 0.50 ! 0.6694 2457:20 Ambig 2.46, 4.05 A or (resid 66 and name HD1*) (resid 49 and name HG1*) ! 0.3306 2457:20 ----- 2.76, 4.13 A assign (resid 49 and name HG1*) (resid 28 and name HD2*) 2.30 0.50 0.50 ! 0.9751 2458:20 Long 2.46, 4.05 A assign (resid 121 and name HD1*) (resid 108 and name HG1*) 2.30 0.50 0.50 ! 0.5188 2459:20 Ambig 2.29, 3.65 A or (resid 112 and name HD1*) (resid 108 and name HG1*) ! 0.3515 2459:20 ----- 2.45, 4.26 A or (resid 112 and name HD2*) (resid 108 and name HG1*) ! 0.0772 2459:20 ----- 3.15, 4.56 A assign (resid 63 and name HB2) (resid 63 and name HD2*) 2.65 0.85 0.85 ! 0.9851 2460:20 Intra 3.63, 3.88 A assign (resid 60 and name HD2*) (resid 63 and name HD1*) 2.65 0.85 0.85 ! 0.9996 2461:20 Mid 2.00, 3.63 A assign (resid 121 and name HD1*) (resid 108 and name HG2*) 2.65 0.85 0.85 ! 0.2432 2463:20 Ambig 4.72, 6.15 A or (resid 81 and name HG2*) (resid 108 and name HG2*) ! 0.2088 2463:20 ----- 4.85, 6.40 A or (resid 95 and name HD1*) (resid 108 and name HG2*) ! 0.1599 2463:20 ----- 5.07, 6.65 A or (resid 119 and name HD1*) (resid 108 and name HG2*) ! 0.1595 2463:20 ----- 5.07, 7.17 A or (resid 91 and name HG2*) (resid 108 and name HG2*) ! 0.0904 2463:20 ----- 5.57, 7.10 A or (resid 112 and name HD1*) (resid 108 and name HG2*) ! 0.0743 2463:20 ----- 5.76, 7.00 A assign (resid 103 and name HD1*) (resid 81 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2467:20 Long 4.57, 6.04 A assign (resid 66 and name HG2*) (resid 49 and name HG2*) 2.65 0.85 0.85 ! 0.5743 2468:20 Ambig 4.18, 6.34 A or (resid 24 and name HG2*) (resid 49 and name HG2*) ! 0.3921 2468:20 ----- 4.45, 6.25 A assign (resid 24 and name HG2*) (resid 49 and name HG1*) 2.65 0.85 0.85 ! 0.9210 2469:20 Long 2.16, 3.53 A assign (resid 66 and name HN) (resid 27 and name HB*) 4.15 2.35 2.35 ! 0.0000 2474:20 Long 5.55, 6.46 A assign (resid 80 and name HN) (resid 121 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2475:20 Long 6.38, 7.57 A assign (resid 71 and name HN) (resid 121 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2476:20 Long 5.56, 6.74 A assign (resid 71 and name HN) (resid 71 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2477:20 Intra 4.42, 4.61 A assign (resid 66 and name HN) (resid 34 and name HG2*) 4.15 2.35 2.35 ! 0.5224 2479:20 Ambig 5.68, 6.71 A or (resid 104 and name HN) (resid 102 and name HG2*) ! 0.4776 2479:20 ----- 5.76, 7.06 A assign (resid 66 and name HN) (resid 22 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2480:20 Long 3.66, 4.59 A assign (resid 66 and name HN) (resid 66 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2482:20 Intra 2.75, 3.63 A assign (resid 23 and name HN) (resid 27 and name HB*) 3.65 1.85 1.85 ! 0.5843 2483:20 Ambig 5.26, 6.18 A or (resid 50 and name HN) (resid 27 and name HB*) ! 0.2130 2483:20 ----- 6.23, 6.99 A or (resid 44 and name HN) (resid 27 and name HB*) ! 0.2027 2483:20 ----- 6.28, 7.21 A assign (resid 122 and name HN) (resid 121 and name HG2*) 2.65 0.85 0.85 ! 0.8341 2484:20 Ambig 2.71, 3.61 A or (resid 72 and name HN) (resid 121 and name HG2*) ! 0.1646 2484:20 ----- 3.56, 4.43 A assign (resid 70 and name HN) (resid 121 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2485:20 Long 4.68, 5.66 A assign (resid 103 and name HN) (resid 102 and name HG2*) 3.15 1.35 1.35 ! 0.8566 2486:20 Ambig 3.89, 4.64 A or (resid 79 and name HN) (resid 102 and name HG2*) ! 0.1434 2486:20 ----- 5.24, 5.83 A assign (resid 34 and name HN) (resid 34 and name HG2*) 3.15 1.35 1.35 ! 0.9966 2487:20 Intra 3.06, 3.95 A assign (resid 22 and name HN) (resid 22 and name HG2*) 3.15 1.35 1.35 ! 0.9997 2488:20 Intra 2.23, 3.11 A assign (resid 23 and name HN) (resid 22 and name HG2*) 2.65 0.85 0.85 ! 0.9524 2489:20 Seq 3.69, 4.43 A assign (resid 103 and name HN) (resid 99 and name HG2*) 3.65 1.85 1.85 ! 0.9292 2490:20 Mid 4.96, 6.25 A assign (resid 44 and name HN) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.9250 2491:20 Intra 4.14, 4.45 A assign (resid 45 and name HN) (resid 44 and name HG2*) 2.65 0.85 0.85 ! 0.9980 2492:20 Seq 2.70, 3.47 A assign (resid 103 and name HN) (resid 103 and name HG2*) 3.15 1.35 1.35 ! 0.9678 2493:20 Intra 3.29, 4.12 A assign (resid 122 and name HN) (resid 69 and name HG2*) 3.15 1.35 1.35 ! 0.4955 2494:20 Ambig 3.64, 4.64 A or (resid 72 and name HN) (resid 122 and name HG2*) ! 0.2769 2494:20 ----- 4.01, 5.47 A or (resid 122 and name HN) (resid 122 and name HG2*) ! 0.1836 2494:20 ----- 4.29, 4.60 A assign (resid 70 and name HN) (resid 69 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2495:20 Seq 2.69, 3.46 A assign (resid 120 and name HN) (resid 119 and name HG2*) 2.65 0.85 0.85 ! 0.9349 2496:20 Seq 2.70, 3.41 A assign (resid 68 and name HN) (resid 66 and name HG2*) 3.15 1.35 1.35 ! 0.9871 2497:20 Mid 3.70, 4.88 A assign (resid 65 and name HN) (resid 90 and name HB*) 3.65 1.85 1.85 ! 0.4478 2498:20 Ambig 6.30, 7.03 A or (resid 95 and name HN) (resid 90 and name HB*) ! 0.2454 2498:20 ----- 6.96, 7.58 A or (resid 84 and name HN) (resid 90 and name HB*) ! 0.1688 2498:20 ----- 7.41, 8.35 A or (resid 61 and name HN) (resid 90 and name HB*) ! 0.1380 2498:20 ----- 7.66, 8.70 A assign (resid 28 and name HN) (resid 27 and name HB*) 2.65 0.85 0.85 ! 0.9986 2499:20 Seq 2.57, 3.48 A assign (resid 27 and name HN) (resid 27 and name HB*) 2.65 0.85 0.85 ! 0.9858 2500:20 Intra 2.41, 2.88 A assign (resid 90 and name HN) (resid 90 and name HB*) 2.65 0.85 0.85 ! 0.9609 2501:20 Intra 2.48, 2.88 A assign (resid 91 and name HN) (resid 90 and name HB*) 2.65 0.85 0.85 ! 0.9879 2502:20 Seq 2.25, 3.18 A assign (resid 61 and name HN) (resid 56 and name HG2*) 3.65 1.85 1.85 ! 0.5285 2504:20 Ambig 4.86, 5.79 A or (resid 95 and name HN) (resid 93 and name HG2*) ! 0.2352 2504:20 ----- 5.56, 6.38 A or (resid 52 and name HN) (resid 56 and name HG2*) ! 0.2112 2504:20 ----- 5.66, 6.61 A assign (resid 94 and name HN) (resid 93 and name HG2*) 3.15 1.35 1.35 ! 0.9229 2505:20 Seq 3.44, 4.36 A assign (resid 93 and name HN) (resid 93 and name HG2*) 3.15 1.35 1.35 ! 0.9204 2506:20 Intra 4.32, 4.55 A assign (resid 28 and name HN) (resid 22 and name HG2*) 3.65 1.85 1.85 ! 0.8425 2507:20 Ambig 5.80, 6.54 A or (resid 65 and name HN) (resid 22 and name HG2*) ! 0.1575 2507:20 ----- 7.67, 8.62 A assign (resid 27 and name HN) (resid 22 and name HG2*) 3.15 1.35 1.35 ! 0.9101 2508:20 Long 3.35, 4.17 A assign (resid 81 and name HN) (resid 103 and name HG2*) 4.15 2.35 2.35 ! 0.5279 2509:20 Ambig 4.91, 6.16 A or (resid 101 and name HN) (resid 103 and name HG2*) ! 0.3384 2509:20 ----- 5.28, 6.92 A or (resid 95 and name HN) (resid 103 and name HG2*) ! 0.1338 2509:20 ----- 6.17, 7.16 A assign (resid 95 and name HN) (resid 91 and name HG2*) 3.15 1.35 1.35 ! 0.8991 2510:20 Ambig 4.00, 4.85 A or (resid 81 and name HN) (resid 91 and name HG2*) ! 0.0710 2510:20 ----- 6.10, 7.46 A assign (resid 92 and name HN) (resid 103 and name HG2*) 4.15 2.35 2.35 ! 0.6964 2511:20 Ambig 6.15, 6.72 A or (resid 82 and name HN) (resid 103 and name HG2*) ! 0.1809 2511:20 ----- 7.70, 8.76 A or (resid 106 and name HN) (resid 103 and name HG2*) ! 0.1226 2511:20 ----- 8.21, 8.91 A assign (resid 91 and name HN) (resid 91 and name HG2*) 3.15 1.35 1.35 ! 0.9756 2512:20 Intra 4.43, 4.55 A assign (resid 91 and name HN) (resid 103 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2513:20 Long 6.81, 7.53 A assign (resid 115 and name HN) (resid 119 and name HG2*) 4.15 2.35 2.35 ! 0.7779 2515:20 Ambig 6.57, 7.52 A or (resid 87 and name HD21) (resid 119 and name HG2*) ! 0.2221 2515:20 ----- 8.09, 9.72 A assign (resid 65 and name HN) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.8804 2516:20 Ambig 4.53, 5.64 A or (resid 52 and name HN) (resid 66 and name HG2*) ! 0.0420 2516:20 ----- 7.53, 8.62 A assign (resid 25 and name HN) (resid 27 and name HB*) 3.65 1.85 1.85 ! 0.6048 2517:20 Ambig 5.10, 6.11 A or (resid 49 and name HN) (resid 27 and name HB*) ! 0.3952 2517:20 ----- 5.47, 6.22 A assign (resid 24 and name HN) (resid 27 and name HB*) 3.65 1.85 1.85 ! 0.6907 2518:20 Ambig 5.21, 6.06 A or (resid 33 and name HN) (resid 27 and name HB*) ! 0.3093 2518:20 ----- 5.96, 7.16 A assign (resid 64 and name HN) (resid 90 and name HB*) 3.65 1.85 1.85 ! 0.4834 2519:20 Ambig 5.62, 6.63 A or (resid 86 and name HE3) (resid 90 and name HB*) ! 0.2228 2519:20 ----- 6.39, 7.51 A or (resid 56 and name HN) (resid 90 and name HB*) ! 0.1736 2519:20 ----- 6.66, 7.75 A or (resid 86 and name HD1) (resid 90 and name HB*) ! 0.0604 2519:20 ----- 7.95, 8.90 A assign (resid 68 and name HD*) (resid 90 and name HB*) 3.65 1.85 1.85 ! 0.9029 2520:20 Long 4.32, 6.38 A assign (resid 68 and name HE*) (resid 90 and name HB*) 3.15 1.35 1.35 ! 0.9983 2521:20 Long 2.44, 4.65 A assign (resid 56 and name HN) (resid 56 and name HG2*) 2.65 0.85 0.85 ! 0.9895 2523:20 Intra 1.93, 2.85 A assign (resid 60 and name HN) (resid 56 and name HG2*) 3.65 1.85 1.85 ! 0.9126 2524:20 Mid 5.18, 6.17 A assign (resid 80 and name HE*) (resid 102 and name HG2*) 3.15 1.35 1.35 ! 0.7303 2525:20 Ambig 5.14, 6.94 A or (resid 80 and name HZ) (resid 102 and name HG2*) ! 0.2697 2525:20 ----- 6.07, 7.01 A assign (resid 80 and name HD*) (resid 102 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2526:20 Long 5.18, 6.94 A assign (resid 49 and name HN) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.9820 2527:20 Long 4.59, 5.41 A assign (resid 48 and name HN) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.8599 2528:20 Ambig 5.28, 6.18 A or (resid 115 and name HD*) (resid 44 and name HG2*) ! 0.1401 2528:20 ----- 7.15, 9.35 A assign (resid 70 and name HE*) (resid 91 and name HG2*) 3.65 1.85 1.85 ! 0.9916 2529:20 Long 3.05, 5.51 A assign (resid 108 and name HN) (resid 103 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2530:20 Long 5.60, 6.53 A assign (resid 70 and name HE*) (resid 103 and name HG2*) 3.15 1.35 1.35 ! 0.7788 2531:20 Ambig 4.43, 7.03 A or (resid 70 and name HD*) (resid 103 and name HG2*) ! 0.2212 2531:20 ----- 5.47, 7.86 A assign (resid 6 and name HD*) (resid 5 and name HG2*) 3.15 1.35 1.35 ! 0.5881 2532:20 Ambig 2.29, 6.24 A or (resid 78 and name HN) (resid 76 and name HG2*) ! 0.2450 2532:20 ----- 2.65, 4.13 A or (resid 14 and name HD*) (resid 122 and name HG2*) ! 0.1348 2532:20 ----- 2.93, 4.96 A assign (resid 14 and name HD*) (resid 13 and name HG2*) 3.15 1.35 1.35 ! 0.9876 2533:20 Seq 3.12, 5.45 A assign (resid 24 and name HN) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.8840 2535:20 Ambig 4.24, 5.43 A or (resid 64 and name HN) (resid 66 and name HG2*) ! 0.1160 2535:20 ----- 5.95, 7.02 A assign (resid 68 and name HD*) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.9854 2536:20 Mid 3.71, 5.10 A assign (resid 70 and name HD*) (resid 119 and name HG2*) 2.65 0.85 0.85 ! 0.9968 2537:20 Long 1.93, 4.65 A assign (resid 68 and name HE*) (resid 66 and name HG2*) 3.15 1.35 1.35 ! 0.9949 2538:20 Mid 3.12, 4.30 A assign (resid 68 and name HZ) (resid 90 and name HB*) 3.65 1.85 1.85 ! 0.9748 2539:20 Long 3.14, 3.83 A assign (resid 39 and name HD22) (resid 19 and name HB*) 3.65 1.85 1.85 ! 0.7020 2540:20 Ambig 5.42, 6.63 A or (resid 41 and name HD*) (resid 19 and name HB*) ! 0.1587 2540:20 ----- 6.94, 9.29 A or (resid 21 and name HD*) (resid 19 and name HB*) ! 0.1392 2540:20 ----- 7.10, 8.54 A assign (resid 79 and name HE*) (resid 121 and name HG2*) 2.65 0.85 0.85 ! 0.9999 2541:20 Long 1.99, 4.57 A assign (resid 79 and name HD*) (resid 71 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2542:20 Long 6.06, 8.22 A assign (resid 68 and name HE*) (resid 56 and name HG2*) 3.65 1.85 1.85 ! 0.6958 2543:20 Ambig 6.55, 7.86 A or (resid 59 and name HD*) (resid 56 and name HG2*) ! 0.3042 2543:20 ----- 7.52, 9.88 A assign (resid 61 and name HD1) (resid 56 and name HG2*) 2.65 0.85 0.85 ! 0.9993 2544:20 Long 2.39, 3.52 A assign (resid 21 and name HD*) (resid 34 and name HG2*) 3.65 1.85 1.85 ! 0.9120 2545:20 Long 4.03, 6.54 A assign (resid 42 and name HD2) (resid 34 and name HG2*) 3.65 1.85 1.85 ! 0.4393 2546:20 Ambig 5.15, 6.16 A or (resid 120 and name HE*) (resid 34 and name HG2*) ! 0.2438 2546:20 ----- 5.68, 8.39 A or (resid 21 and name HE*) (resid 34 and name HG2*) ! 0.1741 2546:20 ----- 6.01, 8.27 A or (resid 41 and name HE*) (resid 34 and name HG2*) ! 0.1428 2546:20 ----- 6.21, 9.59 A assign (resid 70 and name HZ) (resid 91 and name HG2*) 3.65 1.85 1.85 ! 0.9679 2547:20 Long 3.87, 4.56 A assign (resid 42 and name HD2) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.8037 2548:20 Ambig 4.91, 5.76 A or (resid 120 and name HE*) (resid 44 and name HG2*) ! 0.1963 2548:20 ----- 6.21, 9.35 A assign (resid 70 and name HZ) (resid 103 and name HG2*) 3.65 1.85 1.85 ! 0.7933 2549:20 Ambig 5.75, 6.82 A or (resid 79 and name HD*) (resid 103 and name HG2*) ! 0.2067 2549:20 ----- 7.19, 8.51 A assign (resid 70 and name HZ) (resid 119 and name HG2*) 3.65 1.85 1.85 ! 0.8413 2550:20 Ambig 4.64, 5.48 A or (resid 79 and name HD*) (resid 119 and name HG2*) ! 0.1383 2550:20 ----- 6.27, 8.05 A assign (resid 68 and name HZ) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.9851 2551:20 Mid 3.35, 3.87 A assign (resid 70 and name HA) (resid 121 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2552:20 Long 5.58, 6.78 A assign (resid 70 and name HA) (resid 71 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2553:20 Seq 6.29, 6.55 A assign (resid 120 and name HZ) (resid 34 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2554:20 Long 6.92, 7.85 A assign (resid 23 and name HA) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2555:20 Long 4.25, 5.45 A assign (resid 22 and name HA) (resid 27 and name HB*) 4.15 2.35 2.35 ! 0.8202 2556:20 Ambig 5.89, 7.02 A or (resid 21 and name HA) (resid 27 and name HB*) ! 0.1798 2556:20 ----- 7.58, 8.78 A assign (resid 121 and name HA) (resid 121 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2557:20 Intra 2.57, 3.22 A assign (resid 71 and name HA) (resid 71 and name HG2*) 2.65 0.85 0.85 ! 0.9874 2558:20 Intra 2.45, 3.08 A assign (resid 80 and name HA) (resid 71 and name HG2*) 4.15 2.35 2.35 ! 0.8338 2559:20 Ambig 6.58, 7.12 A or (resid 102 and name HA) (resid 71 and name HG2*) ! 0.1662 2559:20 ----- 8.61, 9.41 A assign (resid 56 and name HA) (resid 93 and name HG2*) 2.65 0.85 0.85 ! 0.8312 2560:20 Ambig 2.85, 3.87 A or (resid 56 and name HA) (resid 56 and name HG2*) ! 0.1688 2560:20 ----- 3.72, 3.93 A assign (resid 102 and name HA) (resid 102 and name HG2*) 2.65 0.85 0.85 ! 0.8359 2561:20 Ambig 3.62, 3.90 A or (resid 80 and name HA) (resid 102 and name HG2*) ! 0.1177 2561:20 ----- 5.02, 5.58 A assign (resid 21 and name HA) (resid 34 and name HG2*) 3.15 1.35 1.35 ! 0.9865 2562:20 Long 2.35, 3.41 A assign (resid 22 and name HA) (resid 22 and name HG2*) 3.15 1.35 1.35 ! 0.5461 2563:20 Ambig 3.73, 3.95 A or (resid 21 and name HA) (resid 22 and name HG2*) ! 0.4539 2563:20 ----- 3.84, 4.95 A assign (resid 117 and name HA) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.9263 2564:20 Long 5.44, 6.78 A assign (resid 102 and name HA) (resid 103 and name HG2*) 3.65 1.85 1.85 ! 0.8274 2565:20 Ambig 4.13, 5.17 A or (resid 80 and name HA) (resid 103 and name HG2*) ! 0.0961 2565:20 ----- 5.91, 7.16 A assign (resid 121 and name HA) (resid 69 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2566:20 Long 4.26, 5.34 A assign (resid 69 and name HA) (resid 69 and name HG2*) 2.30 0.50 0.50 ! 0.7814 2567:20 Ambig 2.66, 3.32 A or (resid 71 and name HA) (resid 122 and name HG2*) ! 0.1188 2567:20 ----- 3.64, 4.69 A assign (resid 14 and name HA) (resid 13 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2568:20 Seq 3.48, 4.75 A assign (resid 121 and name HA) (resid 119 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2569:20 Mid 4.23, 4.79 A assign (resid 120 and name HA) (resid 119 and name HG2*) 3.15 1.35 1.35 ! 0.7737 2570:20 Ambig 3.42, 4.49 A or (resid 69 and name HA) (resid 119 and name HG2*) ! 0.2160 2570:20 ----- 4.23, 5.23 A assign (resid 65 and name HA) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2571:20 Seq 3.92, 5.08 A assign (resid 32 and name HA) (resid 27 and name HB*) 3.15 1.35 1.35 ! 0.9531 2572:20 Long 3.66, 4.55 A assign (resid 27 and name HA) (resid 27 and name HB*) 2.65 0.85 0.85 ! 0.9935 2573:20 Intra 2.39, 2.62 A assign (resid 87 and name HA) (resid 90 and name HB*) 3.15 1.35 1.35 ! 0.9743 2574:20 Mid 2.66, 3.40 A assign (resid 90 and name HA) (resid 90 and name HB*) 2.65 0.85 0.85 ! 0.9896 2575:20 Intra 2.43, 2.64 A assign (resid 36 and name HA) (resid 19 and name HB*) 3.15 1.35 1.35 ! 0.9661 2576:20 Long 3.40, 4.14 A assign (resid 37 and name HA) (resid 19 and name HB*) 2.30 0.50 0.50 ! 0.7724 2577:20 Ambig 1.96, 2.98 A or (resid 19 and name HA) (resid 19 and name HB*) ! 0.2259 2577:20 ----- 2.40, 2.64 A assign (resid 123 and name HA) (resid 121 and name HG2*) 3.15 1.35 1.35 ! 0.5935 2578:20 Ambig 3.58, 4.66 A or (resid 122 and name HA) (resid 121 and name HG2*) ! 0.4065 2578:20 ----- 3.81, 4.85 A assign (resid 61 and name HA) (resid 56 and name HG2*) 3.15 1.35 1.35 ! 0.6417 2579:20 Ambig 4.24, 4.82 A or (resid 55 and name HA) (resid 93 and name HG2*) ! 0.1970 2579:20 ----- 5.16, 6.26 A or (resid 55 and name HA) (resid 56 and name HG2*) ! 0.1613 2579:20 ----- 5.34, 6.28 A assign (resid 57 and name HD1) (resid 93 and name HG2*) 2.30 0.50 0.50 ! 0.9275 2580:20 Long 2.37, 3.58 A assign (resid 18 and name HA) (resid 34 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2582:20 Long 5.78, 6.54 A assign (resid 32 and name HA) (resid 22 and name HG2*) 2.65 0.85 0.85 ! 0.8955 2583:20 Ambig 3.35, 4.57 A or (resid 31 and name HA) (resid 22 and name HG2*) ! 0.0893 2583:20 ----- 4.92, 6.29 A assign (resid 100 and name HA) (resid 99 and name HG2*) 3.15 1.35 1.35 ! 0.9169 2584:20 Seq 3.54, 4.63 A assign (resid 32 and name HA) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.8737 2585:20 Ambig 3.50, 4.24 A or (resid 117 and name HB1) (resid 44 and name HG2*) ! 0.1170 2585:20 ----- 4.90, 6.18 A assign (resid 99 and name HA) (resid 99 and name HG2*) 2.65 0.85 0.85 ! 0.9522 2586:20 Intra 2.70, 3.35 A assign (resid 45 and name HA) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.7293 2587:20 Ambig 3.96, 5.05 A or (resid 27 and name HA) (resid 44 and name HG2*) ! 0.2535 2587:20 ----- 4.72, 5.65 A assign (resid 89 and name HA) (resid 99 and name HG2*) 3.65 1.85 1.85 ! 0.6219 2588:20 Ambig 5.67, 6.58 A or (resid 98 and name HA) (resid 99 and name HG2*) ! 0.3781 2588:20 ----- 6.16, 6.62 A assign (resid 103 and name HA) (resid 103 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2589:20 Intra 2.42, 3.03 A assign (resid 122 and name HA) (resid 122 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2590:20 Intra 2.47, 3.10 A assign (resid 10 and name HA) (resid 13 and name HG2*) 3.65 1.85 1.85 ! 0.9223 2591:20 Mid 4.10, 5.44 A assign (resid 8 and name HA) (resid 8 and name HG2*) 2.30 0.50 0.50 ! 0.3474 2592:20 Ambig 2.38, 3.25 A or (resid 76 and name HA) (resid 76 and name HG2*) ! 0.3136 2592:20 ----- 2.42, 3.09 A or (resid 5 and name HA) (resid 5 and name HG2*) ! 0.2851 2592:20 ----- 2.46, 3.14 A assign (resid 116 and name HA) (resid 119 and name HG2*) 3.65 1.85 1.85 ! 0.8822 2594:20 Ambig 5.53, 6.12 A or (resid 113 and name HA) (resid 119 and name HG2*) ! 0.0722 2594:20 ----- 8.39, 9.51 A assign (resid 68 and name HA) (resid 66 and name HG2*) 3.15 1.35 1.35 ! 0.5268 2596:20 Ambig 4.55, 5.69 A or (resid 118 and name HA) (resid 66 and name HG2*) ! 0.3265 2596:20 ----- 4.93, 5.64 A or (resid 87 and name HA) (resid 66 and name HG2*) ! 0.1296 2596:20 ----- 5.75, 6.45 A assign (resid 67 and name HA) (resid 119 and name HG2*) 4.15 2.35 2.35 ! 0.6032 2597:20 Ambig 6.74, 7.65 A or (resid 81 and name HA) (resid 119 and name HG2*) ! 0.3968 2597:20 ----- 7.23, 8.16 A assign (resid 67 and name HA) (resid 66 and name HG2*) 2.65 0.85 0.85 ! 0.9901 2598:20 Seq 3.22, 4.02 A assign (resid 111 and name HA) (resid 119 and name HG2*) 4.15 2.35 2.35 ! 0.5987 2599:20 Ambig 6.51, 7.66 A or (resid 66 and name HA) (resid 119 and name HG2*) ! 0.1610 2599:20 ----- 8.11, 9.27 A or (resid 116 and name HB) (resid 119 and name HG2*) ! 0.1298 2599:20 ----- 8.40, 8.90 A or (resid 105 and name HA) (resid 119 and name HG2*) ! 0.1105 2599:20 ----- 8.63, 9.53 A assign (resid 66 and name HA) (resid 66 and name HG2*) 2.65 0.85 0.85 ! 0.9995 2600:20 Intra 2.45, 3.06 A assign (resid 28 and name HA) (resid 27 and name HB*) 3.15 1.35 1.35 ! 0.6792 2601:20 Ambig 4.39, 4.95 A or (resid 25 and name HA) (resid 27 and name HB*) ! 0.2511 2601:20 ----- 5.18, 6.37 A assign (resid 49 and name HA) (resid 27 and name HB*) 3.65 1.85 1.85 ! 0.5960 2602:20 Ambig 5.14, 5.76 A or (resid 30 and name HA2) (resid 27 and name HB*) ! 0.3700 2602:20 ----- 5.56, 6.52 A assign (resid 24 and name HA) (resid 27 and name HB*) 3.15 1.35 1.35 ! 0.0000 2603:20 Mid 2.70, 3.72 A assign (resid 91 and name HA) (resid 90 and name HB*) 3.65 1.85 1.85 ! 0.8490 2604:20 Ambig 4.17, 4.75 A or (resid 57 and name HD2) (resid 90 and name HB*) ! 0.1152 2604:20 ----- 5.81, 6.57 A assign (resid 35 and name HA) (resid 19 and name HB*) 3.65 1.85 1.85 ! 0.0000 2605:20 Long 4.71, 5.84 A assign (resid 93 and name HA) (resid 93 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2606:20 Intra 2.59, 3.22 A assign (resid 53 and name HA) (resid 56 and name HG2*) 2.65 0.85 0.85 ! 0.7457 2607:20 Ambig 1.97, 2.52 A or (resid 57 and name HD2) (resid 93 and name HG2*) ! 0.2483 2607:20 ----- 2.36, 3.63 A assign (resid 67 and name HD*) (resid 34 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2608:20 Long 2.20, 4.16 A assign (resid 44 and name HA) (resid 44 and name HG2*) 2.65 0.85 0.85 ! 0.9978 2609:20 Intra 2.58, 3.23 A assign (resid 46 and name HA) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2610:20 Mid 3.41, 4.63 A assign (resid 91 and name HA) (resid 91 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2611:20 Intra 2.51, 3.12 A assign (resid 91 and name HA) (resid 103 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2612:20 Long 5.57, 6.57 A assign (resid 13 and name HA) (resid 13 and name HG2*) 2.65 0.85 0.85 ! 0.9831 2613:20 Intra 2.46, 3.15 A assign (resid 82 and name HB2) (resid 69 and name HG2*) 2.30 0.50 0.50 ! 0.6314 2614:20 Ambig 2.05, 3.29 A or (resid 82 and name HB1) (resid 69 and name HG2*) ! 0.3240 2614:20 ----- 2.29, 3.59 A assign (resid 112 and name HA) (resid 119 and name HG2*) 3.65 1.85 1.85 ! 0.9587 2615:20 Long 3.94, 4.97 A assign (resid 49 and name HA) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.8754 2616:20 Ambig 4.83, 6.15 A or (resid 53 and name HA) (resid 66 and name HG2*) ! 0.0561 2616:20 ----- 7.63, 8.53 A assign (resid 44 and name HA) (resid 66 and name HG2*) 4.15 2.35 2.35 ! 0.4149 2617:20 Ambig 8.20, 9.10 A or (resid 83 and name HA2) (resid 66 and name HG2*) ! 0.3084 2617:20 ----- 8.61, 9.59 A or (resid 25 and name HA) (resid 66 and name HG2*) ! 0.2767 2617:20 ----- 8.77, 9.55 A assign (resid 24 and name HA) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.9844 2618:20 Long 4.09, 4.91 A assign (resid 26 and name HB1) (resid 27 and name HB*) 3.65 1.85 1.85 ! 0.6722 2619:20 Ambig 4.35, 5.44 A or (resid 46 and name HE2) (resid 27 and name HB*) ! 0.1601 2619:20 ----- 5.52, 6.97 A or (resid 29 and name HB1) (resid 27 and name HB*) ! 0.0798 2619:20 ----- 6.20, 6.72 A assign (resid 35 and name HD1) (resid 19 and name HB*) 3.65 1.85 1.85 ! 0.9153 2620:20 Long 4.33, 5.35 A assign (resid 35 and name HD2) (resid 19 and name HB*) 3.65 1.85 1.85 ! 0.9936 2621:20 Long 2.64, 4.04 A assign (resid 37 and name HB2) (resid 19 and name HB*) 3.15 1.35 1.35 ! 0.9982 2622:20 Long 2.29, 4.90 A assign (resid 70 and name HB2) (resid 121 and name HG2*) 2.65 0.85 0.85 ! 0.9874 2623:20 Long 3.25, 4.51 A assign (resid 72 and name HE*) (resid 121 and name HG2*) 3.65 1.85 1.85 ! 0.8758 2624:20 Ambig 5.51, 6.81 A or (resid 120 and name HB2) (resid 121 and name HG2*) ! 0.1242 2624:20 ----- 7.64, 8.05 A assign (resid 80 and name HB1) (resid 71 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2625:20 Long 5.24, 5.81 A assign (resid 80 and name HB2) (resid 71 and name HG2*) 3.15 1.35 1.35 ! 0.9659 2626:20 Long 3.89, 4.34 A assign (resid 101 and name HB2) (resid 102 and name HG2*) 3.65 1.85 1.85 ! 0.8821 2627:20 Ambig 3.12, 4.72 A or (resid 101 and name HB1) (resid 102 and name HG2*) ! 0.1107 2627:20 ----- 4.41, 5.82 A assign (resid 26 and name HB1) (resid 22 and name HG2*) 2.65 0.85 0.85 ! 0.6630 2628:20 Ambig 3.74, 4.41 A or (resid 31 and name HE*) (resid 22 and name HG2*) ! 0.3198 2628:20 ----- 4.23, 7.55 A assign (resid 26 and name HB2) (resid 22 and name HG2*) 3.15 1.35 1.35 ! 0.9581 2629:20 Mid 3.33, 4.07 A assign (resid 87 and name HB1) (resid 99 and name HG2*) 4.15 2.35 2.35 ! 0.5844 2630:20 Ambig 6.46, 7.78 A or (resid 80 and name HB1) (resid 99 and name HG2*) ! 0.4156 2630:20 ----- 6.83, 7.55 A assign (resid 107 and name HB1) (resid 103 and name HG2*) 3.15 1.35 1.35 ! 0.9655 2631:20 Mid 3.13, 4.33 A assign (resid 107 and name HB2) (resid 103 and name HG2*) 3.15 1.35 1.35 ! 0.9664 2632:20 Mid 3.73, 4.51 A assign (resid 68 and name HB2) (resid 119 and name HG2*) 3.65 1.85 1.85 ! 0.9977 2633:20 Long 3.16, 4.36 A assign (resid 70 and name HB2) (resid 119 and name HG2*) 3.15 1.35 1.35 ! 0.7204 2634:20 Ambig 3.97, 4.43 A or (resid 108 and name HA) (resid 119 and name HG2*) ! 0.1664 2634:20 ----- 5.06, 6.16 A or (resid 70 and name HB1) (resid 119 and name HG2*) ! 0.1132 2634:20 ----- 5.40, 5.88 A assign (resid 68 and name HB1) (resid 119 and name HG2*) 3.15 1.35 1.35 ! 0.6773 2635:20 Ambig 4.19, 5.47 A or (resid 120 and name HB2) (resid 119 and name HG2*) ! 0.2162 2635:20 ----- 5.06, 5.68 A or (resid 115 and name HB2) (resid 119 and name HG2*) ! 0.1065 2635:20 ----- 5.70, 6.39 A assign (resid 68 and name HB1) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.5059 2636:20 Ambig 5.49, 6.64 A or (resid 21 and name HB1) (resid 66 and name HG2*) ! 0.3280 2636:20 ----- 5.90, 6.61 A or (resid 115 and name HB2) (resid 66 and name HG2*) ! 0.1335 2636:20 ----- 6.85, 7.77 A assign (resid 49 and name HB) (resid 27 and name HB*) 3.65 1.85 1.85 ! 0.9627 2637:20 Long 3.65, 4.37 A assign (resid 121 and name HB) (resid 121 and name HG2*) 2.30 0.50 0.50 ! 0.0000 2638:20 Intra 2.41, 2.64 A assign (resid 56 and name HB) (resid 56 and name HG2*) 2.30 0.50 0.50 ! 0.5306 2639:20 Ambig 2.35, 2.61 A or (resid 93 and name HB) (resid 93 and name HG2*) ! 0.4236 2639:20 ----- 2.44, 2.65 A assign (resid 20 and name HG1) (resid 34 and name HG2*) 2.65 0.85 0.85 ! 0.9901 2641:20 Long 2.12, 3.82 A assign (resid 34 and name HB) (resid 34 and name HG2*) 2.65 0.85 0.85 ! 0.9006 2642:20 Intra 2.35, 2.60 A assign (resid 102 and name HB) (resid 102 and name HG2*) 2.30 0.50 0.50 ! 0.9881 2643:20 Intra 2.42, 2.63 A assign (resid 22 and name HB) (resid 22 and name HG2*) 2.65 0.85 0.85 ! 0.9890 2644:20 Intra 2.40, 2.63 A assign (resid 118 and name HB1) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.3882 2645:20 Ambig 4.45, 5.48 A or (resid 49 and name HB) (resid 44 and name HG2*) ! 0.2899 2645:20 ----- 4.67, 5.43 A or (resid 67 and name HB1) (resid 44 and name HG2*) ! 0.2038 2645:20 ----- 4.95, 6.26 A or (resid 43 and name HG2) (resid 44 and name HG2*) ! 0.1052 2645:20 ----- 5.53, 8.20 A assign (resid 81 and name HB) (resid 99 and name HG2*) 2.30 0.50 0.50 ! 0.5856 2646:20 Ambig 2.22, 3.17 A or (resid 99 and name HB) (resid 99 and name HG2*) ! 0.3447 2646:20 ----- 2.42, 2.64 A assign (resid 103 and name HB) (resid 103 and name HG2*) 2.65 0.85 0.85 ! 0.9022 2647:20 Intra 2.37, 2.61 A assign (resid 8 and name HB) (resid 5 and name HG2*) 2.30 0.50 0.50 ! 0.5810 2648:20 Ambig 2.00, 8.67 A or (resid 8 and name HB) (resid 8 and name HG2*) ! 0.2240 2648:20 ----- 2.35, 2.64 A or (resid 5 and name HB) (resid 5 and name HG2*) ! 0.1888 2648:20 ----- 2.42, 2.64 A assign (resid 13 and name HB) (resid 13 and name HG2*) 2.30 0.50 0.50 ! 0.9664 2650:20 Intra 2.42, 2.64 A assign (resid 111 and name HB1) (resid 119 and name HG2*) 3.15 1.35 1.35 ! 0.7033 2651:20 Ambig 4.44, 5.56 A or (resid 67 and name HB1) (resid 119 and name HG2*) ! 0.1190 2651:20 ----- 5.97, 6.69 A or (resid 118 and name HB1) (resid 119 and name HG2*) ! 0.0601 2651:20 ----- 6.69, 7.28 A or (resid 111 and name HG) (resid 119 and name HG2*) ! 0.0561 2651:20 ----- 6.77, 7.83 A assign (resid 118 and name HB2) (resid 66 and name HG2*) 3.15 1.35 1.35 ! 0.5499 2652:20 Ambig 4.81, 5.60 A or (resid 52 and name HB1) (resid 66 and name HG2*) ! 0.2716 2652:20 ----- 5.41, 6.43 A or (resid 90 and name HB*) (resid 66 and name HG2*) ! 0.1152 2652:20 ----- 6.24, 6.81 A assign (resid 118 and name HB1) (resid 66 and name HG2*) 3.15 1.35 1.35 ! 0.9270 2653:20 Long 3.32, 4.08 A assign (resid 64 and name HG2*) (resid 90 and name HB*) 2.65 0.85 0.85 ! 0.9027 2654:20 Long 2.09, 3.81 A assign (resid 36 and name HG) (resid 19 and name HB*) 4.15 2.35 2.35 ! 0.0000 2655:20 Long 6.21, 6.85 A assign (resid 35 and name HB*) (resid 19 and name HB*) 2.65 0.85 0.85 ! 0.0000 2656:20 Long 2.12, 4.68 A assign (resid 27 and name HB*) (resid 22 and name HG2*) 2.30 0.50 0.50 ! 0.9808 2660:20 Long 2.46, 4.14 A assign (resid 44 and name HB) (resid 44 and name HG2*) 2.30 0.50 0.50 ! 0.9815 2661:20 Intra 2.39, 2.62 A assign (resid 27 and name HB*) (resid 44 and name HG2*) 2.65 0.85 0.85 ! 0.9295 2662:20 Long 3.02, 4.47 A assign (resid 99 and name HG1*) (resid 103 and name HG2*) 2.65 0.85 0.85 ! 0.9938 2665:20 Mid 1.97, 3.08 A assign (resid 66 and name HB) (resid 66 and name HG2*) 2.30 0.50 0.50 ! 0.9865 2670:20 Intra 2.41, 2.62 A assign (resid 49 and name HG2*) (resid 27 and name HB*) 2.30 0.50 0.50 ! 0.0000 2672:20 Long 2.02, 3.69 A assign (resid 66 and name HD1*) (resid 27 and name HB*) 2.65 0.85 0.85 ! 0.9880 2673:20 Long 2.11, 3.54 A assign (resid 56 and name HD1*) (resid 90 and name HB*) 2.65 0.85 0.85 ! 0.8107 2674:20 Ambig 2.17, 3.54 A or (resid 64 and name HG1*) (resid 90 and name HB*) ! 0.1631 2674:20 ----- 2.84, 4.13 A assign (resid 91 and name HD1*) (resid 90 and name HB*) 3.65 1.85 1.85 ! 0.9722 2675:20 Seq 3.45, 5.08 A assign (resid 36 and name HD2*) (resid 19 and name HB*) 3.15 1.35 1.35 ! 0.0000 2676:20 Long 5.50, 6.97 A assign (resid 56 and name HD1*) (resid 56 and name HG2*) 2.30 0.50 0.50 ! 0.9452 2677:20 Intra 1.91, 3.58 A assign (resid 91 and name HD1*) (resid 91 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2678:20 Intra 2.00, 3.70 A assign (resid 95 and name HD1*) (resid 103 and name HG2*) 2.30 0.50 0.50 ! 0.3751 2679:20 Ambig 2.25, 4.15 A or (resid 91 and name HG2*) (resid 103 and name HG2*) ! 0.2462 2679:20 ----- 2.41, 3.85 A or (resid 81 and name HG2*) (resid 103 and name HG2*) ! 0.1812 2679:20 ----- 2.54, 4.01 A or (resid 99 and name HD1*) (resid 103 and name HG2*) ! 0.1511 2679:20 ----- 2.61, 3.82 A assign (resid 91 and name HD1*) (resid 103 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2680:20 Long 5.07, 6.99 A assign (resid 119 and name HD1*) (resid 119 and name HG2*) 2.30 0.50 0.50 ! 0.7210 2681:20 Ambig 2.01, 3.61 A or (resid 112 and name HD2*) (resid 119 and name HG2*) ! 0.2489 2681:20 ----- 2.40, 3.69 A assign (resid 24 and name HD1*) (resid 66 and name HG2*) 2.65 0.85 0.85 ! 0.7667 2682:20 Ambig 3.80, 5.19 A or (resid 44 and name HG2*) (resid 66 and name HG2*) ! 0.1130 2682:20 ----- 5.23, 6.87 A or (resid 44 and name HD1*) (resid 66 and name HG2*) ! 0.1117 2682:20 ----- 5.24, 6.90 A assign (resid 66 and name HD1*) (resid 66 and name HG2*) 2.65 0.85 0.85 ! 0.9992 2685:20 Intra 2.00, 3.63 A assign (resid 24 and name HG2*) (resid 27 and name HB*) 3.15 1.35 1.35 ! 0.7565 2686:20 Ambig 4.06, 5.99 A or (resid 28 and name HD1*) (resid 27 and name HB*) ! 0.1402 2686:20 ----- 5.37, 6.99 A or (resid 66 and name HG2*) (resid 27 and name HB*) ! 0.1032 2686:20 ----- 5.65, 6.74 A assign (resid 108 and name HG2*) (resid 121 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2687:20 Long 5.20, 7.34 A assign (resid 103 and name HD1*) (resid 91 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2688:20 Long 2.07, 3.87 A assign (resid 103 and name HD1*) (resid 103 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2689:20 Intra 1.98, 3.63 A assign (resid 80 and name HN) (resid 71 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2690:20 Long 5.76, 6.46 A assign (resid 71 and name HN) (resid 71 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2691:20 Intra 3.36, 4.17 A assign (resid 66 and name HN) (resid 24 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2692:20 Long 6.08, 6.72 A assign (resid 66 and name HN) (resid 66 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2693:20 Intra 4.21, 4.47 A assign (resid 112 and name HN) (resid 119 and name HD1*) 3.15 1.35 1.35 ! 0.9248 2694:20 Long 3.55, 4.10 A assign (resid 122 and name HN) (resid 121 and name HD1*) 3.65 1.85 1.85 ! 0.6508 2695:20 Ambig 5.56, 6.20 A or (resid 72 and name HN) (resid 121 and name HD1*) ! 0.2975 2695:20 ----- 6.33, 7.47 A assign (resid 53 and name HN) (resid 24 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2697:20 Long 4.69, 5.80 A assign (resid 34 and name HN) (resid 34 and name HD1*) 3.15 1.35 1.35 ! 0.7574 2698:20 Ambig 3.05, 3.93 A or (resid 34 and name HN) (resid 44 and name HD1*) ! 0.1525 2698:20 ----- 3.99, 4.85 A assign (resid 44 and name HN) (resid 44 and name HD1*) 3.15 1.35 1.35 ! 0.6491 2699:20 Ambig 3.75, 4.60 A or (resid 36 and name HN) (resid 34 and name HD1*) ! 0.2873 2699:20 ----- 4.29, 5.18 A assign (resid 99 and name HN) (resid 99 and name HD1*) 3.15 1.35 1.35 ! 0.9541 2700:20 Intra 2.46, 3.45 A assign (resid 122 and name HN) (resid 122 and name HD1*) 3.15 1.35 1.35 ! 0.9559 2701:20 Intra 3.48, 4.33 A assign (resid 68 and name HN) (resid 69 and name HD1*) 3.15 1.35 1.35 ! 0.4834 2702:20 Ambig 4.17, 5.27 A or (resid 120 and name HN) (resid 69 and name HD1*) ! 0.4401 2702:20 ----- 4.24, 5.38 A assign (resid 70 and name HN) (resid 69 and name HD1*) 3.15 1.35 1.35 ! 0.5015 2703:20 Ambig 5.12, 5.89 A or (resid 70 and name HN) (resid 122 and name HD1*) ! 0.4985 2703:20 ----- 5.12, 5.76 A assign (resid 68 and name HN) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.8854 2704:20 Ambig 6.10, 6.87 A or (resid 34 and name HN) (resid 66 and name HD1*) ! 0.1146 2704:20 ----- 8.58, 9.43 A assign (resid 45 and name HN) (resid 66 and name HD1*) 4.15 2.35 2.35 ! 0.6381 2705:20 Ambig 6.10, 7.12 A or (resid 53 and name HN) (resid 66 and name HD1*) ! 0.3619 2705:20 ----- 6.70, 7.60 A assign (resid 53 and name HN) (resid 24 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2706:20 Long 3.75, 4.27 A assign (resid 103 and name HN) (resid 103 and name HD1*) 3.15 1.35 1.35 ! 0.7105 2707:20 Ambig 4.60, 4.79 A or (resid 79 and name HN) (resid 103 and name HD1*) ! 0.2895 2707:20 ----- 5.34, 5.98 A assign (resid 115 and name HN) (resid 119 and name HD1*) 3.65 1.85 1.85 ! 0.9924 2709:20 Mid 3.76, 4.58 A assign (resid 111 and name HN) (resid 119 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2710:20 Long 5.25, 5.38 A assign (resid 95 and name HN) (resid 93 and name HD1*) 4.15 2.35 2.35 ! 0.6532 2711:20 Ambig 7.50, 8.12 A or (resid 61 and name HN) (resid 93 and name HD1*) ! 0.3468 2711:20 ----- 8.34, 8.99 A assign (resid 90 and name HN) (resid 93 and name HD1*) 3.15 1.35 1.35 ! 0.4888 2712:20 Ambig 4.78, 5.97 A or (resid 94 and name HN) (resid 93 and name HD1*) ! 0.3698 2712:20 ----- 5.01, 5.76 A or (resid 89 and name HN) (resid 93 and name HD1*) ! 0.0788 2712:20 ----- 6.48, 7.35 A assign (resid 93 and name HN) (resid 93 and name HD1*) 3.15 1.35 1.35 ! 0.9713 2713:20 Intra 3.86, 4.54 A assign (resid 61 and name HN) (resid 24 and name HD1*) 3.65 1.85 1.85 ! 0.8256 2714:20 Ambig 4.17, 5.32 A or (resid 65 and name HN) (resid 24 and name HD1*) ! 0.0973 2714:20 ----- 5.96, 6.91 A assign (resid 92 and name HN) (resid 99 and name HD1*) 3.15 1.35 1.35 ! 0.9883 2716:20 Long 2.64, 3.80 A assign (resid 91 and name HN) (resid 99 and name HD1*) 3.15 1.35 1.35 ! 0.9356 2717:20 Long 4.56, 5.64 A assign (resid 90 and name HN) (resid 56 and name HD1*) 3.15 1.35 1.35 ! 0.6519 2718:20 Ambig 4.45, 5.10 A or (resid 94 and name HN) (resid 56 and name HD1*) ! 0.1759 2718:20 ----- 5.53, 6.69 A or (resid 87 and name HD21) (resid 56 and name HD1*) ! 0.0782 2718:20 ----- 6.33, 8.23 A assign (resid 28 and name HN) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.7056 2719:20 Ambig 4.92, 6.03 A or (resid 118 and name HN) (resid 66 and name HD1*) ! 0.1575 2719:20 ----- 6.32, 7.47 A or (resid 65 and name HN) (resid 66 and name HD1*) ! 0.0705 2719:20 ----- 7.23, 8.03 A assign (resid 27 and name HN) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.9805 2720:20 Long 3.68, 4.92 A assign (resid 28 and name HN) (resid 24 and name HG2*) 3.15 1.35 1.35 ! 0.7870 2721:20 Ambig 4.43, 5.27 A or (resid 52 and name HN) (resid 24 and name HG2*) ! 0.2011 2721:20 ----- 5.56, 6.43 A assign (resid 27 and name HN) (resid 24 and name HG2*) 3.65 1.85 1.85 ! 0.9604 2722:20 Mid 5.39, 5.99 A assign (resid 111 and name HN) (resid 103 and name HD1*) 4.15 2.35 2.35 ! 0.8344 2723:20 Ambig 5.46, 6.29 A or (resid 102 and name HN) (resid 103 and name HD1*) ! 0.1656 2723:20 ----- 7.15, 8.05 A assign (resid 70 and name HE*) (resid 119 and name HD1*) 2.65 0.85 0.85 ! 0.7908 2724:20 Ambig 2.17, 5.00 A or (resid 115 and name HD*) (resid 119 and name HD1*) ! 0.1682 2724:20 ----- 2.80, 5.65 A assign (resid 86 and name HE3) (resid 93 and name HD1*) 3.65 1.85 1.85 ! 0.5353 2725:20 Ambig 6.51, 7.26 A or (resid 56 and name HN) (resid 93 and name HD1*) ! 0.3717 2725:20 ----- 6.92, 7.73 A assign (resid 64 and name HN) (resid 24 and name HD1*) 2.65 0.85 0.85 ! 0.4931 2726:20 Ambig 3.75, 4.74 A or (resid 24 and name HN) (resid 24 and name HD1*) ! 0.4696 2726:20 ----- 3.78, 4.32 A assign (resid 63 and name HN) (resid 24 and name HD1*) 3.65 1.85 1.85 ! 0.6869 2727:20 Ambig 4.58, 5.73 A or (resid 60 and name HN) (resid 24 and name HD1*) ! 0.2263 2727:20 ----- 5.52, 6.52 A assign (resid 14 and name HD*) (resid 13 and name HD1*) 3.15 1.35 1.35 ! 0.7106 2728:20 Ambig 3.92, 7.29 A or (resid 32 and name HN) (resid 44 and name HD1*) ! 0.1527 2728:20 ----- 5.06, 6.53 A or (resid 119 and name HN) (resid 44 and name HD1*) ! 0.0807 2728:20 ----- 5.63, 8.05 A assign (resid 14 and name HE*) (resid 71 and name HD1*) 2.65 0.85 0.85 ! 0.9961 2729:20 Long 2.18, 4.34 A assign (resid 70 and name HD*) (resid 121 and name HD1*) 3.15 1.35 1.35 ! 0.9276 2730:20 Long 4.25, 6.60 A assign (resid 68 and name HE*) (resid 24 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2731:20 Long 4.64, 6.30 A assign (resid 56 and name HN) (resid 56 and name HD1*) 3.15 1.35 1.35 ! 0.7211 2732:20 Ambig 5.04, 5.45 A or (resid 86 and name HE3) (resid 56 and name HD1*) ! 0.2263 2732:20 ----- 6.12, 7.45 A assign (resid 14 and name HD*) (resid 122 and name HD1*) 2.65 0.85 0.85 ! 0.7414 2733:20 Ambig 3.65, 5.75 A or (resid 78 and name HN) (resid 76 and name HD1*) ! 0.1102 2733:20 ----- 5.01, 6.26 A or (resid 68 and name HD*) (resid 69 and name HD1*) ! 0.0702 2733:20 ----- 5.40, 7.17 A assign (resid 120 and name HD*) (resid 122 and name HD1*) 2.65 0.85 0.85 ! 0.8454 2734:20 Ambig 3.11, 5.70 A or (resid 120 and name HD*) (resid 69 and name HD1*) ! 0.1336 2734:20 ----- 4.23, 6.18 A assign (resid 68 and name HE*) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2735:20 Mid 5.18, 7.06 A assign (resid 49 and name HN) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.5065 2736:20 Ambig 5.69, 6.19 A or (resid 25 and name HN) (resid 66 and name HD1*) ! 0.4935 2736:20 ----- 5.72, 6.58 A assign (resid 24 and name HN) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.9223 2737:20 Long 4.49, 5.34 A assign (resid 68 and name HD*) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.7417 2738:20 Ambig 6.25, 7.90 A or (resid 32 and name HN) (resid 66 and name HD1*) ! 0.1625 2738:20 ----- 8.05, 8.97 A assign (resid 25 and name HN) (resid 24 and name HG2*) 3.15 1.35 1.35 ! 0.9600 2739:20 Seq 3.66, 4.42 A assign (resid 24 and name HN) (resid 24 and name HG2*) 3.15 1.35 1.35 ! 0.6767 2740:20 Ambig 4.31, 4.50 A or (resid 61 and name HZ2) (resid 24 and name HG2*) ! 0.1338 2740:20 ----- 5.65, 6.40 A or (resid 54 and name HN) (resid 24 and name HG2*) ! 0.1261 2740:20 ----- 5.71, 6.45 A assign (resid 61 and name HZ3) (resid 24 and name HG2*) 3.65 1.85 1.85 ! 0.7320 2741:20 Ambig 5.15, 6.36 A or (resid 63 and name HN) (resid 24 and name HG2*) ! 0.1539 2741:20 ----- 6.68, 7.40 A or (resid 60 and name HN) (resid 24 and name HG2*) ! 0.1141 2741:20 ----- 7.02, 8.23 A assign (resid 61 and name HE3) (resid 24 and name HG2*) 3.65 1.85 1.85 ! 0.9913 2742:20 Long 3.91, 5.13 A assign (resid 108 and name HN) (resid 103 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2743:20 Long 3.32, 4.40 A assign (resid 70 and name HE*) (resid 103 and name HD1*) 3.15 1.35 1.35 ! 0.9993 2744:20 Long 2.59, 4.56 A assign (resid 70 and name HZ) (resid 119 and name HD1*) 3.15 1.35 1.35 ! 0.7339 2745:20 Ambig 4.00, 4.72 A or (resid 115 and name HE*) (resid 119 and name HD1*) ! 0.1973 2745:20 ----- 4.98, 7.47 A assign (resid 59 and name HE*) (resid 93 and name HD1*) 3.65 1.85 1.85 ! 0.5823 2746:20 Ambig 5.56, 8.64 A or (resid 79 and name HD*) (resid 71 and name HD1*) ! 0.3741 2746:20 ----- 5.99, 9.12 A assign (resid 79 and name HE*) (resid 121 and name HD1*) 2.65 0.85 0.85 ! 0.9996 2747:20 Long 2.10, 4.88 A assign (resid 41 and name HD*) (resid 34 and name HD1*) 3.15 1.35 1.35 ! 0.4054 2748:20 Ambig 4.75, 7.60 A or (resid 21 and name HD*) (resid 34 and name HD1*) ! 0.3764 2748:20 ----- 4.81, 7.75 A or (resid 21 and name HD*) (resid 44 and name HD1*) ! 0.2046 2748:20 ----- 5.32, 8.16 A assign (resid 120 and name HE*) (resid 34 and name HD1*) 2.65 0.85 0.85 ! 0.4293 2749:20 Ambig 2.16, 4.73 A or (resid 42 and name HD2) (resid 44 and name HD1*) ! 0.3901 2749:20 ----- 2.19, 4.70 A or (resid 42 and name HD2) (resid 34 and name HD1*) ! 0.1606 2749:20 ----- 2.54, 3.98 A assign (resid 21 and name HE*) (resid 69 and name HD1*) 2.65 0.85 0.85 ! 0.9948 2750:20 Long 1.95, 4.32 A assign (resid 68 and name HZ) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.9002 2751:20 Mid 5.50, 6.67 A assign (resid 61 and name HD1) (resid 24 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2752:20 Long 3.35, 4.94 A assign (resid 70 and name HZ) (resid 103 and name HD1*) 3.15 1.35 1.35 ! 0.9111 2753:20 Long 3.60, 4.33 A assign (resid 23 and name HA) (resid 24 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2754:20 Seq 5.89, 6.28 A assign (resid 23 and name HA) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2755:20 Long 4.97, 5.55 A assign (resid 23 and name HA) (resid 24 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2756:20 Seq 6.49, 6.79 A assign (resid 115 and name HA) (resid 119 and name HD1*) 3.65 1.85 1.85 ! 0.6992 2757:20 Ambig 5.40, 6.14 A or (resid 69 and name HA) (resid 119 and name HD1*) ! 0.1508 2757:20 ----- 6.97, 7.83 A or (resid 120 and name HA) (resid 119 and name HD1*) ! 0.1500 2757:20 ----- 6.98, 7.53 A assign (resid 71 and name HA) (resid 71 and name HD1*) 2.65 0.85 0.85 ! 0.9596 2758:20 Intra 2.29, 3.14 A assign (resid 121 and name HA) (resid 121 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2759:20 Intra 4.36, 4.62 A assign (resid 23 and name HB) (resid 24 and name HD1*) 3.65 1.85 1.85 ! 0.7726 2760:20 Ambig 5.22, 6.00 A or (resid 56 and name HA) (resid 24 and name HD1*) ! 0.2274 2760:20 ----- 6.40, 6.77 A assign (resid 21 and name HA) (resid 44 and name HD1*) 3.15 1.35 1.35 ! 0.4741 2761:20 Ambig 4.68, 5.61 A or (resid 21 and name HA) (resid 34 and name HD1*) ! 0.4047 2761:20 ----- 4.81, 5.87 A or (resid 22 and name HA) (resid 44 and name HD1*) ! 0.0905 2761:20 ----- 6.17, 6.72 A assign (resid 69 and name HA) (resid 69 and name HD1*) 2.65 0.85 0.85 ! 0.9068 2762:20 Intra 3.01, 3.90 A assign (resid 23 and name HB) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.4066 2763:20 Ambig 6.30, 7.03 A or (resid 22 and name HA) (resid 66 and name HD1*) ! 0.3599 2763:20 ----- 6.42, 7.29 A or (resid 21 and name HA) (resid 66 and name HD1*) ! 0.1528 2763:20 ----- 7.41, 7.81 A assign (resid 65 and name HA) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.8881 2764:20 Ambig 5.80, 6.24 A or (resid 117 and name HA) (resid 66 and name HD1*) ! 0.1119 2764:20 ----- 8.19, 9.48 A assign (resid 23 and name HB) (resid 24 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2765:20 Seq 5.87, 6.25 A assign (resid 102 and name HA) (resid 103 and name HD1*) 3.65 1.85 1.85 ! 0.4089 2766:20 Ambig 5.82, 6.19 A or (resid 104 and name HA) (resid 103 and name HD1*) ! 0.3469 2766:20 ----- 5.98, 6.72 A or (resid 80 and name HA) (resid 103 and name HD1*) ! 0.2443 2766:20 ----- 6.34, 7.26 A assign (resid 79 and name HA) (resid 103 and name HD1*) 3.65 1.85 1.85 ! 0.5913 2767:20 Ambig 6.14, 7.21 A or (resid 78 and name HA) (resid 103 and name HD1*) ! 0.3134 2767:20 ----- 6.83, 7.47 A assign (resid 111 and name HA) (resid 119 and name HD1*) 3.15 1.35 1.35 ! 0.9475 2769:20 Long 3.98, 4.49 A assign (resid 57 and name HD1) (resid 93 and name HD1*) 2.65 0.85 0.85 ! 0.6031 2770:20 Ambig 2.71, 3.94 A or (resid 90 and name HA) (resid 93 and name HD1*) ! 0.3752 2770:20 ----- 2.93, 4.33 A assign (resid 61 and name HA) (resid 24 and name HD1*) 2.65 0.85 0.85 ! 0.9999 2772:20 Long 1.97, 3.08 A assign (resid 10 and name HA) (resid 13 and name HD1*) 3.15 1.35 1.35 ! 0.9965 2773:20 Mid 2.12, 4.16 A assign (resid 64 and name HA) (resid 24 and name HD1*) 3.15 1.35 1.35 ! 0.3150 2774:20 Ambig 5.14, 5.90 A or (resid 60 and name HA) (resid 24 and name HD1*) ! 0.3041 2774:20 ----- 5.17, 6.27 A or (resid 52 and name HA) (resid 24 and name HD1*) ! 0.1843 2774:20 ----- 5.62, 6.73 A or (resid 90 and name HA) (resid 24 and name HD1*) ! 0.1423 2774:20 ----- 5.86, 6.64 A assign (resid 99 and name HA) (resid 99 and name HD1*) 2.65 0.85 0.85 ! 0.9843 2776:20 Intra 2.53, 3.68 A assign (resid 18 and name HA) (resid 34 and name HD1*) 3.15 1.35 1.35 ! 0.8861 2777:20 Ambig 2.59, 3.63 A or (resid 117 and name HB2) (resid 44 and name HD1*) ! 0.1076 2777:20 ----- 3.68, 6.50 A assign (resid 122 and name HA) (resid 122 and name HD1*) 2.65 0.85 0.85 ! 0.8497 2778:20 Ambig 2.09, 3.01 A or (resid 68 and name HA) (resid 69 and name HD1*) ! 0.1451 2778:20 ----- 2.81, 4.01 A assign (resid 17 and name HA) (resid 122 and name HD1*) 2.65 0.85 0.85 ! 0.9675 2779:20 Long 2.53, 3.98 A assign (resid 5 and name HA) (resid 5 and name HD1*) 2.65 0.85 0.85 ! 0.5285 2780:20 Ambig 2.11, 3.33 A or (resid 76 and name HA) (resid 76 and name HD1*) ! 0.4709 2780:20 ----- 2.15, 3.74 A assign (resid 90 and name HA) (resid 56 and name HD1*) 2.65 0.85 0.85 ! 0.9399 2781:20 Long 2.74, 3.53 A assign (resid 118 and name HA) (resid 66 and name HD1*) 3.15 1.35 1.35 ! 0.9185 2782:20 Long 4.15, 5.42 A assign (resid 67 and name HA) (resid 66 and name HD1*) 3.15 1.35 1.35 ! 0.5895 2783:20 Ambig 4.24, 5.05 A or (resid 27 and name HA) (resid 66 and name HD1*) ! 0.4105 2783:20 ----- 4.50, 5.58 A assign (resid 66 and name HA) (resid 66 and name HD1*) 3.15 1.35 1.35 ! 0.9041 2784:20 Intra 4.87, 5.14 A assign (resid 61 and name HA) (resid 24 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2785:20 Long 3.04, 3.94 A assign (resid 103 and name HA) (resid 103 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2786:20 Intra 4.86, 5.14 A assign (resid 107 and name HA) (resid 103 and name HD1*) 3.15 1.35 1.35 ! 0.4819 2787:20 Ambig 4.57, 5.78 A or (resid 81 and name HA) (resid 103 and name HD1*) ! 0.3922 2787:20 ----- 4.73, 5.65 A or (resid 99 and name HA) (resid 103 and name HD1*) ! 0.0776 2787:20 ----- 6.19, 7.69 A assign (resid 112 and name HA) (resid 119 and name HD1*) 2.65 0.85 0.85 ! 0.0000 2788:20 Long 2.19, 3.41 A assign (resid 57 and name HD2) (resid 93 and name HD1*) 3.15 1.35 1.35 ! 0.9979 2789:20 Long 2.43, 3.28 A assign (resid 82 and name HB2) (resid 71 and name HD1*) 2.65 0.85 0.85 ! 0.7242 2790:20 Ambig 3.15, 4.66 A or (resid 82 and name HB1) (resid 71 and name HD1*) ! 0.2670 2790:20 ----- 3.72, 4.83 A assign (resid 24 and name HA) (resid 24 and name HD1*) 3.15 1.35 1.35 ! 0.9127 2791:20 Intra 4.40, 4.65 A assign (resid 44 and name HA) (resid 44 and name HD1*) 3.15 1.35 1.35 ! 0.9763 2792:20 Intra 2.27, 4.56 A assign (resid 67 and name HD*) (resid 44 and name HD1*) 2.30 0.50 0.50 ! 0.9426 2793:20 Long 2.22, 4.36 A assign (resid 17 and name HB*) (resid 122 and name HD1*) 2.30 0.50 0.50 ! 0.5765 2794:20 Ambig 2.86, 4.39 A or (resid 83 and name HA2) (resid 69 and name HD1*) ! 0.1728 2794:20 ----- 3.50, 5.28 A or (resid 16 and name HB2) (resid 122 and name HD1*) ! 0.1058 2794:20 ----- 3.80, 5.15 A or (resid 17 and name HB*) (resid 69 and name HD1*) ! 0.0583 2794:20 ----- 4.19, 6.16 A assign (resid 44 and name HA) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.5713 2795:20 Ambig 5.74, 6.94 A or (resid 28 and name HA) (resid 66 and name HD1*) ! 0.2217 2795:20 ----- 6.72, 7.68 A or (resid 25 and name HA) (resid 66 and name HD1*) ! 0.2070 2795:20 ----- 6.79, 7.88 A assign (resid 49 and name HA) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.9337 2796:20 Long 4.11, 4.74 A assign (resid 24 and name HA) (resid 66 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2797:20 Long 2.46, 3.35 A assign (resid 25 and name HA) (resid 24 and name HG2*) 3.15 1.35 1.35 ! 0.9376 2798:20 Seq 3.65, 4.84 A assign (resid 53 and name HA) (resid 24 and name HG2*) 2.65 0.85 0.85 ! 0.8745 2799:20 Ambig 2.74, 3.88 A or (resid 49 and name HA) (resid 24 and name HG2*) ! 0.1242 2799:20 ----- 3.80, 4.96 A assign (resid 24 and name HA) (resid 24 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2800:20 Intra 2.56, 3.18 A assign (resid 88 and name HA) (resid 103 and name HD1*) 3.65 1.85 1.85 ! 0.4709 2801:20 Ambig 6.40, 7.53 A or (resid 72 and name HA) (resid 103 and name HD1*) ! 0.1858 2801:20 ----- 7.48, 8.98 A or (resid 109 and name HA) (resid 103 and name HD1*) ! 0.1811 2801:20 ----- 7.51, 8.47 A or (resid 82 and name HB2) (resid 103 and name HD1*) ! 0.0919 2801:20 ----- 8.41, 9.64 A assign (resid 115 and name HB1) (resid 119 and name HD1*) 3.15 1.35 1.35 ! 0.8550 2802:20 Ambig 4.27, 5.09 A or (resid 113 and name HD*) (resid 119 and name HD1*) ! 0.0832 2802:20 ----- 6.30, 9.11 A assign (resid 115 and name HB2) (resid 119 and name HD1*) 2.65 0.85 0.85 ! 0.9819 2803:20 Mid 2.65, 3.56 A assign (resid 68 and name HB2) (resid 119 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2804:20 Long 4.19, 4.68 A assign (resid 89 and name HE*) (resid 93 and name HD1*) 3.15 1.35 1.35 ! 0.7999 2805:20 Ambig 3.92, 6.40 A or (resid 70 and name HB2) (resid 71 and name HD1*) ! 0.0862 2805:20 ----- 5.68, 6.87 A or (resid 70 and name HB1) (resid 71 and name HD1*) ! 0.0790 2805:20 ----- 5.76, 6.87 A assign (resid 80 and name HB1) (resid 71 and name HD1*) 3.65 1.85 1.85 ! 0.8449 2806:20 Ambig 6.00, 6.47 A or (resid 18 and name HD1) (resid 71 and name HD1*) ! 0.1551 2806:20 ----- 7.96, 8.78 A assign (resid 42 and name HB*) (resid 34 and name HD1*) 2.65 0.85 0.85 ! 0.9836 2807:20 Long 2.03, 3.29 A assign (resid 53 and name HB1) (resid 24 and name HG2*) 2.65 0.85 0.85 ! 0.9894 2808:20 Long 2.11, 2.64 A assign (resid 53 and name HB2) (resid 24 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2809:20 Long 3.47, 4.05 A assign (resid 107 and name HB1) (resid 103 and name HD1*) 2.65 0.85 0.85 ! 0.6994 2810:20 Ambig 2.54, 3.70 A or (resid 108 and name HA) (resid 103 and name HD1*) ! 0.2550 2810:20 ----- 3.00, 3.85 A assign (resid 107 and name HB2) (resid 103 and name HD1*) 3.15 1.35 1.35 ! 0.9532 2811:20 Mid 2.43, 3.76 A assign (resid 57 and name HB1) (resid 93 and name HD1*) 3.15 1.35 1.35 ! 0.8956 2812:20 Ambig 4.47, 5.33 A or (resid 79 and name HB1) (resid 71 and name HD1*) ! 0.0839 2812:20 ----- 6.64, 7.71 A assign (resid 122 and name HB) (resid 71 and name HD1*) 2.30 0.50 0.50 ! 0.6958 2813:20 Ambig 1.97, 2.76 A or (resid 93 and name HG11) (resid 93 and name HD1*) ! 0.2100 2813:20 ----- 2.41, 2.62 A assign (resid 24 and name HB) (resid 24 and name HD1*) 2.65 0.85 0.85 ! 0.9981 2814:20 Intra 2.55, 3.14 A assign (resid 34 and name HB) (resid 34 and name HD1*) 2.30 0.50 0.50 ! 0.5394 2815:20 Ambig 2.46, 3.06 A or (resid 91 and name HB) (resid 99 and name HD1*) ! 0.3330 2815:20 ----- 2.67, 3.56 A or (resid 67 and name HB1) (resid 44 and name HD1*) ! 0.0375 2815:20 ----- 3.84, 5.39 A assign (resid 69 and name HB) (resid 69 and name HD1*) 2.30 0.50 0.50 ! 0.7370 2816:20 Ambig 2.48, 3.09 A or (resid 75 and name HB1) (resid 76 and name HD1*) ! 0.1789 2816:20 ----- 3.14, 4.60 A assign (resid 90 and name HB*) (resid 56 and name HD1*) 2.30 0.50 0.50 ! 0.6449 2817:20 Ambig 2.17, 3.54 A or (resid 56 and name HG12) (resid 56 and name HD1*) ! 0.3519 2817:20 ----- 2.40, 2.62 A assign (resid 22 and name HB) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.3864 2818:20 Ambig 4.95, 6.08 A or (resid 24 and name HB) (resid 66 and name HD1*) ! 0.3191 2818:20 ----- 5.11, 6.05 A or (resid 48 and name HB2) (resid 66 and name HD1*) ! 0.1660 2818:20 ----- 5.70, 6.87 A or (resid 48 and name HB1) (resid 66 and name HD1*) ! 0.0633 2818:20 ----- 6.69, 7.71 A assign (resid 118 and name HB1) (resid 66 and name HD1*) 3.15 1.35 1.35 ! 0.7954 2819:20 Ambig 3.71, 4.77 A or (resid 49 and name HB) (resid 66 and name HD1*) ! 0.1277 2819:20 ----- 5.03, 5.31 A assign (resid 118 and name HG) (resid 66 and name HD1*) 3.65 1.85 1.85 ! 0.5856 2820:20 Ambig 5.01, 6.01 A or (resid 64 and name HB) (resid 66 and name HD1*) ! 0.2460 2820:20 ----- 5.79, 6.94 A or (resid 46 and name HB2) (resid 66 and name HD1*) ! 0.0702 2820:20 ----- 7.14, 8.13 A assign (resid 24 and name HB) (resid 24 and name HG2*) 2.65 0.85 0.85 ! 0.9961 2821:20 Intra 2.42, 2.64 A assign (resid 25 and name HD*) (resid 24 and name HG2*) 3.15 1.35 1.35 ! 0.4017 2822:20 Ambig 4.73, 8.08 A or (resid 64 and name HB) (resid 24 and name HG2*) ! 0.2414 2822:20 ----- 5.15, 5.83 A or (resid 28 and name HB1) (resid 24 and name HG2*) ! 0.1753 2822:20 ----- 5.43, 6.48 A or (resid 25 and name HB1) (resid 24 and name HG2*) ! 0.1132 2822:20 ----- 5.84, 6.89 A assign (resid 103 and name HB) (resid 103 and name HD1*) 2.65 0.85 0.85 ! 0.8958 2823:20 Ambig 2.56, 3.15 A or (resid 111 and name HG) (resid 103 and name HD1*) ! 0.0496 2823:20 ----- 4.14, 4.87 A assign (resid 119 and name HG12) (resid 119 and name HD1*) 2.30 0.50 0.50 ! 0.6282 2824:20 Ambig 2.35, 2.60 A or (resid 119 and name HB) (resid 119 and name HD1*) ! 0.3175 2824:20 ----- 2.63, 3.21 A assign (resid 111 and name HB2) (resid 119 and name HD1*) 2.65 0.85 0.85 ! 0.8982 2825:20 Ambig 2.94, 3.30 A or (resid 112 and name HB1) (resid 119 and name HD1*) ! 0.0590 2825:20 ----- 4.63, 5.67 A assign (resid 93 and name HG2*) (resid 93 and name HD1*) 2.30 0.50 0.50 ! 0.6879 2826:20 Ambig 2.05, 3.69 A or (resid 71 and name HG12) (resid 71 and name HD1*) ! 0.3098 2826:20 ----- 2.34, 2.60 A assign (resid 71 and name HG11) (resid 71 and name HD1*) 2.30 0.50 0.50 ! 0.9841 2827:20 Intra 2.38, 2.63 A assign (resid 56 and name HG2*) (resid 24 and name HD1*) 2.65 0.85 0.85 ! 0.9992 2828:20 Long 2.12, 3.63 A assign (resid 34 and name HG11) (resid 34 and name HD1*) 2.30 0.50 0.50 ! 0.4965 2829:20 Ambig 2.41, 2.63 A or (resid 34 and name HG11) (resid 44 and name HD1*) ! 0.4326 2829:20 ----- 2.47, 3.72 A assign (resid 99 and name HG1*) (resid 99 and name HD1*) 2.30 0.50 0.50 ! 0.0000 2830:20 Intra 2.34, 2.61 A assign (resid 5 and name HG11) (resid 5 and name HD1*) 2.30 0.50 0.50 ! 0.5086 2831:20 Ambig 2.39, 2.63 A or (resid 2 and name HG11) (resid 2 and name HD1*) ! 0.4914 2831:20 ----- 2.41, 2.63 A assign (resid 66 and name HB) (resid 66 and name HD1*) 2.65 0.85 0.85 ! 0.8770 2832:20 Ambig 2.60, 3.17 A or (resid 24 and name HG11) (resid 66 and name HD1*) ! 0.0806 2832:20 ----- 3.87, 4.89 A assign (resid 27 and name HB*) (resid 66 and name HD1*) 2.30 0.50 0.50 ! 0.6896 2833:20 Ambig 2.11, 3.54 A or (resid 66 and name HG11) (resid 66 and name HD1*) ! 0.3062 2833:20 ----- 2.42, 2.63 A assign (resid 64 and name HG2*) (resid 24 and name HG2*) 3.65 1.85 1.85 ! 0.8343 2835:20 Ambig 6.23, 7.80 A or (resid 23 and name HG2*) (resid 24 and name HG2*) ! 0.1657 2835:20 ----- 8.16, 8.67 A assign (resid 56 and name HG2*) (resid 24 and name HG2*) 3.65 1.85 1.85 ! 0.9961 2836:20 Long 3.25, 4.85 A assign (resid 108 and name HB) (resid 103 and name HD1*) 3.15 1.35 1.35 ! 0.5074 2837:20 Ambig 4.67, 5.44 A or (resid 97 and name HB*) (resid 103 and name HD1*) ! 0.2463 2837:20 ----- 5.27, 7.44 A or (resid 110 and name HD*) (resid 103 and name HD1*) ! 0.1139 2837:20 ----- 5.99, 8.47 A or (resid 104 and name HG) (resid 103 and name HD1*) ! 0.0548 2837:20 ----- 6.77, 7.93 A assign (resid 111 and name HB2) (resid 103 and name HD1*) 3.65 1.85 1.85 ! 0.3931 2838:20 Ambig 4.79, 5.30 A or (resid 97 and name HG*) (resid 103 and name HD1*) ! 0.3309 2838:20 ----- 4.93, 8.12 A or (resid 95 and name HB2) (resid 103 and name HD1*) ! 0.1797 2838:20 ----- 5.46, 6.52 A assign (resid 91 and name HG11) (resid 103 and name HD1*) 3.15 1.35 1.35 ! 0.5159 2839:20 Ambig 3.83, 4.77 A or (resid 99 and name HG1*) (resid 103 and name HD1*) ! 0.4680 2839:20 ----- 3.89, 5.38 A assign (resid 103 and name HG12) (resid 103 and name HD1*) 2.65 0.85 0.85 ! 0.9760 2840:20 Intra 2.41, 2.62 A assign (resid 119 and name HG2*) (resid 119 and name HD1*) 2.30 0.50 0.50 ! 0.9556 2841:20 Intra 2.01, 3.61 A assign (resid 118 and name HD2*) (resid 66 and name HD1*) 2.30 0.50 0.50 ! 0.4384 2842:20 Ambig 2.16, 4.22 A or (resid 66 and name HG12) (resid 66 and name HD1*) ! 0.2279 2842:20 ----- 2.41, 2.62 A or (resid 49 and name HG2*) (resid 66 and name HD1*) ! 0.2112 2842:20 ----- 2.44, 3.62 A or (resid 22 and name HG2*) (resid 66 and name HD1*) ! 0.0731 2842:20 ----- 2.91, 4.52 A assign (resid 24 and name HD1*) (resid 24 and name HG2*) 2.30 0.50 0.50 ! 0.9989 2844:20 Intra 1.99, 3.65 A assign (resid 91 and name HG2*) (resid 103 and name HD1*) 2.30 0.50 0.50 ! 0.6031 2845:20 Ambig 2.07, 3.87 A or (resid 95 and name HD1*) (resid 103 and name HD1*) ! 0.1802 2845:20 ----- 2.53, 4.16 A or (resid 111 and name HD1*) (resid 103 and name HD1*) ! 0.1079 2845:20 ----- 2.76, 3.61 A or (resid 81 and name HG2*) (resid 103 and name HD1*) ! 0.1045 2845:20 ----- 2.77, 4.20 A assign (resid 103 and name HG2*) (resid 103 and name HD1*) 2.30 0.50 0.50 ! 0.7742 2846:20 Ambig 1.98, 3.63 A or (resid 103 and name HG11) (resid 103 and name HD1*) ! 0.2254 2846:20 ----- 2.44, 2.64 A assign (resid 24 and name HG2*) (resid 24 and name HD1*) 2.30 0.50 0.50 ! 0.9982 2847:20 Intra 1.99, 3.65 A assign (resid 66 and name HG2*) (resid 66 and name HD1*) 2.65 0.85 0.85 ! 0.9995 2848:20 Intra 2.00, 3.63 A assign (resid 95 and name HN) (resid 91 and name HD1*) 3.65 1.85 1.85 ! 0.7841 2849:20 Ambig 5.56, 6.28 A or (resid 81 and name HN) (resid 91 and name HD1*) ! 0.0913 2849:20 ----- 7.96, 8.66 A or (resid 84 and name HN) (resid 91 and name HD1*) ! 0.0637 2849:20 ----- 8.45, 9.68 A assign (resid 94 and name HN) (resid 91 and name HD1*) 3.65 1.85 1.85 ! 0.4525 2850:20 Ambig 5.07, 6.13 A or (resid 90 and name HN) (resid 91 and name HD1*) ! 0.3128 2850:20 ----- 5.39, 6.21 A or (resid 82 and name HN) (resid 91 and name HD1*) ! 0.1101 2850:20 ----- 6.41, 7.46 A or (resid 89 and name HN) (resid 91 and name HD1*) ! 0.0574 2850:20 ----- 7.15, 7.68 A assign (resid 91 and name HN) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.9328 2851:20 Intra 3.05, 3.83 A assign (resid 68 and name HD*) (resid 91 and name HD1*) 3.65 1.85 1.85 ! 0.9985 2852:20 Long 3.02, 4.81 A assign (resid 70 and name HE*) (resid 91 and name HD1*) 2.65 0.85 0.85 ! 0.5639 2853:20 Ambig 3.38, 4.55 A or (resid 68 and name HE*) (resid 91 and name HD1*) ! 0.4361 2853:20 ----- 3.53, 4.79 A assign (resid 70 and name HZ) (resid 91 and name HD1*) 2.65 0.85 0.85 ! 0.9594 2854:20 Long 2.26, 2.90 A assign (resid 87 and name HA) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.4580 2855:20 Ambig 5.21, 5.92 A or (resid 68 and name HA) (resid 91 and name HD1*) ! 0.4028 2855:20 ----- 5.32, 6.59 A or (resid 92 and name HA) (resid 91 and name HD1*) ! 0.1003 2855:20 ----- 6.71, 7.28 A assign (resid 81 and name HA) (resid 91 and name HD1*) 3.65 1.85 1.85 ! 0.4256 2856:20 Ambig 5.96, 6.75 A or (resid 95 and name HA) (resid 91 and name HD1*) ! 0.1320 2856:20 ----- 7.25, 8.08 A or (resid 92 and name HB1) (resid 91 and name HD1*) ! 0.1204 2856:20 ----- 7.36, 8.52 A or (resid 83 and name HA1) (resid 91 and name HD1*) ! 0.1191 2856:20 ----- 7.38, 8.56 A or (resid 107 and name HA) (resid 91 and name HD1*) ! 0.0810 2856:20 ----- 7.87, 9.21 A or (resid 67 and name HA) (resid 91 and name HD1*) ! 0.0787 2856:20 ----- 7.90, 8.90 A assign (resid 88 and name HA) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.8992 2857:20 Ambig 5.19, 5.46 A or (resid 82 and name HB2) (resid 91 and name HD1*) ! 0.0597 2857:20 ----- 8.15, 9.59 A assign (resid 91 and name HA) (resid 91 and name HD1*) 2.65 0.85 0.85 ! 0.0000 2858:20 Intra 2.18, 3.00 A assign (resid 68 and name HB1) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.9746 2859:20 Long 3.43, 4.63 A assign (resid 91 and name HB) (resid 91 and name HD1*) 2.65 0.85 0.85 ! 0.5034 2860:20 Ambig 3.73, 3.93 A or (resid 111 and name HB1) (resid 91 and name HD1*) ! 0.1761 2860:20 ----- 4.44, 5.23 A or (resid 111 and name HG) (resid 91 and name HD1*) ! 0.1483 2860:20 ----- 4.57, 5.66 A or (resid 94 and name HB1) (resid 91 and name HD1*) ! 0.1025 2860:20 ----- 4.86, 5.88 A assign (resid 90 and name HB*) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.9571 2861:20 Seq 3.45, 5.08 A assign (resid 91 and name HG11) (resid 91 and name HD1*) 2.30 0.50 0.50 ! 0.9876 2862:20 Intra 2.40, 2.62 A assign (resid 91 and name HG2*) (resid 91 and name HD1*) 2.30 0.50 0.50 ! 0.9764 2863:20 Intra 2.00, 3.70 A assign (resid 125 and name HB1) (resid 126 and name HB) 4.15 2.35 2.35 ! 0.6102 2864:20 Ambig 5.15, 6.18 A or (resid 48 and name HB1) (resid 116 and name HB) ! 0.3898 2864:20 ----- 5.55, 5.98 A assign (resid 25 and name HB2) (resid 23 and name HB) 3.65 1.85 1.85 ! 0.9952 2865:20 Mid 3.30, 3.69 A assign (resid 52 and name HD2*) (resid 49 and name HA) 3.65 1.85 1.85 ! 0.8487 2866:20 Ambig 2.80, 3.62 A or (resid 66 and name HD1*) (resid 49 and name HA) ! 0.0842 2866:20 ----- 4.11, 4.74 A assign (resid 70 and name HB1) (resid 81 and name HA) 3.15 1.35 1.35 ! 0.7919 2867:20 Ambig 4.02, 4.28 A or (resid 70 and name HB2) (resid 81 and name HA) ! 0.1877 2867:20 ----- 5.10, 5.32 A assign (resid 72 and name HB1) (resid 73 and name HB*) 3.65 1.85 1.85 ! 0.4685 2868:20 Ambig 5.47, 6.07 A or (resid 71 and name HB) (resid 73 and name HB*) ! 0.2708 2868:20 ----- 5.99, 6.97 A or (resid 75 and name HB1) (resid 73 and name HB*) ! 0.2607 2868:20 ----- 6.03, 7.66 A assign (resid 71 and name HG11) (resid 82 and name HB2) 3.15 1.35 1.35 ! 0.8652 2869:20 Ambig 3.12, 4.59 A or (resid 69 and name HG11) (resid 82 and name HB2) ! 0.0612 2869:20 ----- 4.85, 5.30 A assign (resid 94 and name HB2) (resid 91 and name HA) 2.65 0.85 0.85 ! 0.8607 2870:20 Ambig 2.35, 2.58 A or (resid 94 and name HG) (resid 91 and name HA) ! 0.1159 2870:20 ----- 3.28, 3.48 A assign (resid 23 and name HG2*) (resid 62 and name HB2) 2.65 0.85 0.85 ! 0.8934 2871:20 Ambig 3.63, 5.32 A or (resid 63 and name HB1) (resid 62 and name HB2) ! 0.0546 2871:20 ----- 5.79, 6.18 A assign (resid 52 and name HG) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.9944 2872:20 Seq 3.30, 3.42 A assign (resid 122 and name HN) (resid 122 and name HA) 3.15 1.35 1.35 ! 0.9519 2874:20 Intra 2.91, 2.93 A assign (resid 48 and name HN) (resid 48 and name HA) 3.15 1.35 1.35 ! 0.6400 2875:20 Ambig 2.82, 2.85 A or (resid 115 and name HD*) (resid 48 and name HA) ! 0.3584 2875:20 ----- 3.10, 5.40 A assign (resid 59 and name HA) (resid 58 and name HA) 3.65 1.85 1.85 ! 0.0000 2876:20 Seq 4.94, 4.96 A assign (resid 61 and name HB2) (resid 58 and name HA) 3.65 1.85 1.85 ! 0.7582 2877:20 Ambig 3.74, 3.87 A or (resid 25 and name HE*) (resid 58 and name HA) ! 0.1298 2877:20 ----- 5.02, 8.14 A or (resid 53 and name HB1) (resid 58 and name HA) ! 0.0878 2877:20 ----- 5.35, 6.48 A assign (resid 120 and name HB2) (resid 69 and name HA) 3.15 1.35 1.35 ! 0.9174 2878:20 Long 2.73, 2.94 A assign (resid 24 and name HG11) (resid 23 and name HA) 3.15 1.35 1.35 ! 0.6668 2879:20 Ambig 3.72, 3.82 A or (resid 65 and name HB1) (resid 23 and name HA) ! 0.2856 2879:20 ----- 4.28, 4.50 A assign (resid 45 and name HD*) (resid 117 and name HA) 3.65 1.85 1.85 ! 0.7994 2880:20 Ambig 4.27, 5.07 A or (resid 118 and name HB2) (resid 117 and name HA) ! 0.1263 2880:20 ----- 5.81, 5.87 A assign (resid 58 and name HB1) (resid 58 and name HA) 2.65 0.85 0.85 ! 0.9978 2881:20 Intra 2.99, 3.02 A assign (resid 24 and name HG12) (resid 23 and name HA) 3.65 1.85 1.85 ! 0.6530 2882:20 Ambig 4.87, 5.02 A or (resid 24 and name HD1*) (resid 23 and name HA) ! 0.2096 2882:20 ----- 5.89, 6.28 A or (resid 44 and name HD1*) (resid 23 and name HA) ! 0.0791 2882:20 ----- 6.93, 7.73 A assign (resid 118 and name HD2*) (resid 117 and name HA) 3.15 1.35 1.35 ! 0.8114 2884:20 Ambig 4.58, 5.81 A or (resid 112 and name HD2*) (resid 117 and name HA) ! 0.0665 2884:20 ----- 6.95, 7.63 A or (resid 119 and name HD1*) (resid 117 and name HA) ! 0.0557 2884:20 ----- 7.15, 8.03 A assign (resid 44 and name HN) (resid 33 and name HA) 3.15 1.35 1.35 ! 0.9972 2885:20 Long 2.99, 3.23 A assign (resid 39 and name HD22) (resid 39 and name HA) 3.65 1.85 1.85 ! 0.8908 2886:20 Ambig 3.54, 3.92 A or (resid 41 and name HD*) (resid 39 and name HA) ! 0.1092 2886:20 ----- 5.02, 6.32 A assign (resid 67 and name HD*) (resid 21 and name HA) 2.65 0.85 0.85 ! 0.0000 2887:20 Long 3.12, 3.42 A assign (resid 125 and name HB1) (resid 124 and name HA) 3.65 1.85 1.85 ! 0.0000 2888:20 Seq 4.75, 5.16 A assign (resid 1 and name HG*) (resid 1 and name HA) 3.65 1.85 1.85 ! 0.9796 2889:20 Intra 2.47, 3.25 A assign (resid 44 and name HB) (resid 32 and name HA) 2.65 0.85 0.85 ! 0.9924 2890:20 Long 1.99, 2.21 A assign (resid 102 and name HG2*) (resid 104 and name HA) 3.65 1.85 1.85 ! 0.4309 2891:20 Ambig 5.86, 6.86 A or (resid 102 and name HG1*) (resid 104 and name HA) ! 0.2519 2891:20 ----- 6.41, 7.17 A or (resid 95 and name HD1*) (resid 104 and name HA) ! 0.1097 2891:20 ----- 7.37, 8.28 A or (resid 81 and name HG2*) (resid 104 and name HA) ! 0.0889 2891:20 ----- 7.63, 8.27 A or (resid 111 and name HD1*) (resid 104 and name HA) ! 0.0450 2891:20 ----- 8.55, 9.56 A assign (resid 81 and name HG1*) (resid 80 and name HA) 3.65 1.85 1.85 ! 0.3485 2892:20 Ambig 6.27, 6.46 A or (resid 71 and name HG2*) (resid 80 and name HA) ! 0.2616 2892:20 ----- 6.58, 7.12 A or (resid 71 and name HD1*) (resid 80 and name HA) ! 0.1267 2892:20 ----- 7.42, 7.99 A or (resid 69 and name HG2*) (resid 80 and name HA) ! 0.1133 2892:20 ----- 7.56, 8.84 A or (resid 72 and name HG2) (resid 80 and name HA) ! 0.0760 2892:20 ----- 8.08, 8.82 A assign (resid 18 and name HB2) (resid 18 and name HD1) 3.15 1.35 1.35 ! 0.5075 2893:20 Ambig 3.84, 3.90 A or (resid 67 and name HG2) (resid 18 and name HD1) ! 0.3579 2893:20 ----- 4.07, 4.52 A or (resid 122 and name HG12) (resid 18 and name HD1) ! 0.0728 2893:20 ----- 5.31, 5.86 A assign (resid 18 and name HB2) (resid 18 and name HD2) 3.65 1.85 1.85 ! 0.9296 2894:20 Intra 2.88, 3.04 A assign (resid 86 and name HB2) (resid 63 and name HB2) 3.65 1.85 1.85 ! 0.9948 2895:20 Long 3.60, 3.86 A assign (resid 44 and name HB) (resid 32 and name HB1) 3.15 1.35 1.35 ! 0.9545 2896:20 Long 2.46, 2.74 A assign (resid 52 and name HD1*) (resid 55 and name HD*) 3.15 1.35 1.35 ! 0.7390 2897:20 Ambig 3.92, 5.94 A or (resid 94 and name HD1*) (resid 55 and name HD*) ! 0.1975 2897:20 ----- 4.88, 6.36 A assign (resid 80 and name HB2) (resid 71 and name HB) 2.65 0.85 0.85 ! 0.9959 2899:20 Long 1.84, 1.88 A assign (resid 80 and name HB1) (resid 71 and name HB) 2.65 0.85 0.85 ! 0.9670 2900:20 Long 3.50, 3.53 A assign (resid 118 and name HG) (resid 115 and name HB1) 3.15 1.35 1.35 ! 0.9949 2901:20 Mid 2.09, 2.26 A assign (resid 31 and name HG*) (resid 26 and name HB2) 3.15 1.35 1.35 ! 0.6008 2902:20 Ambig 3.75, 5.04 A or (resid 27 and name HB*) (resid 26 and name HB2) ! 0.3269 2902:20 ----- 4.15, 5.00 A assign (resid 45 and name HG*) (resid 47 and name HB1) 3.65 1.85 1.85 ! 0.5818 2903:20 Ambig 5.63, 6.20 A or (resid 46 and name HG2) (resid 47 and name HB1) ! 0.4182 2903:20 ----- 5.95, 6.33 A assign (resid 46 and name HB1) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.7573 2904:20 Ambig 4.92, 5.33 A or (resid 46 and name HB2) (resid 47 and name HB2) ! 0.1690 2904:20 ----- 6.31, 6.58 A assign (resid 93 and name HD1*) (resid 93 and name HB) 2.65 0.85 0.85 ! 0.9965 2905:20 Intra 2.54, 3.15 A assign (resid 24 and name HG12) (resid 24 and name HB) 3.15 1.35 1.35 ! 0.8538 2906:20 Ambig 3.02, 3.02 A or (resid 49 and name HG1*) (resid 24 and name HB) ! 0.0520 2906:20 ----- 4.81, 5.23 A assign (resid 44 and name HD1*) (resid 66 and name HB) 3.15 1.35 1.35 ! 0.6988 2907:20 Ambig 3.34, 4.72 A or (resid 44 and name HG2*) (resid 66 and name HB) ! 0.2154 2907:20 ----- 4.06, 5.14 A assign (resid 44 and name HN) (resid 33 and name HB*) 3.65 1.85 1.85 ! 0.9862 2908:20 Long 4.14, 5.23 A assign (resid 91 and name HA) (resid 91 and name HB) 3.15 1.35 1.35 ! 0.0000 2909:20 Intra 3.04, 3.04 A assign (resid 55 and name HD*) (resid 114 and name HG2) 3.65 1.85 1.85 ! 0.7985 2910:20 Ambig 4.32, 4.95 A or (resid 80 and name HB1) (resid 102 and name HB) ! 0.0942 2910:20 ----- 6.17, 6.44 A or (resid 115 and name HB1) (resid 114 and name HG2) ! 0.0921 2910:20 ----- 6.19, 6.37 A assign (resid 55 and name HD*) (resid 114 and name HG1) 3.65 1.85 1.85 ! 0.6501 2911:20 Ambig 4.48, 5.56 A or (resid 115 and name HB1) (resid 114 and name HG1) ! 0.3381 2911:20 ----- 4.99, 5.20 A assign (resid 51 and name HE*) (resid 114 and name HG1) 3.15 1.35 1.35 ! 0.9737 2912:20 Long 2.14, 4.09 A assign (resid 51 and name HE*) (resid 114 and name HG2) 3.65 1.85 1.85 ! 0.8349 2913:20 Ambig 3.75, 5.53 A or (resid 101 and name HB2) (resid 102 and name HB) ! 0.1246 2913:20 ----- 5.15, 5.63 A assign (resid 57 and name HG1) (resid 57 and name HB2) 2.65 0.85 0.85 ! 0.0000 2914:20 Intra 2.68, 2.72 A assign (resid 5 and name HG12) (resid 4 and name HB*) 2.65 0.85 0.85 ! 0.9736 2915:20 Seq 2.50, 3.92 A assign (resid 28 and name HD1*) (resid 50 and name HG2) 3.65 1.85 1.85 ! 0.0000 2916:20 Long 4.59, 5.42 A assign (resid 121 and name HG2*) (resid 72 and name HB2) 3.15 1.35 1.35 ! 0.9988 2917:20 Long 2.25, 3.26 A assign (resid 101 and name HN) (resid 88 and name HB1) 3.65 1.85 1.85 ! 0.4490 2918:20 Ambig 4.47, 6.01 A or (resid 28 and name HN) (resid 49 and name HB) ! 0.3040 2918:20 ----- 4.76, 5.08 A or (resid 52 and name HN) (resid 49 and name HB) ! 0.1530 2918:20 ----- 5.34, 5.42 A assign (resid 86 and name HD1) (resid 86 and name HB2) 3.15 1.35 1.35 ! 0.9055 2919:20 Intra 2.50, 2.52 A assign (resid 86 and name HE3) (resid 86 and name HB1) 3.15 1.35 1.35 ! 0.6408 2920:20 Ambig 2.90, 2.96 A or (resid 86 and name HD1) (resid 86 and name HB1) ! 0.1860 2920:20 ----- 3.56, 3.60 A or (resid 64 and name HN) (resid 86 and name HB1) ! 0.1715 2920:20 ----- 3.61, 3.79 A assign (resid 86 and name HA) (resid 85 and name HG1) 2.65 0.85 0.85 ! 0.9908 2921:20 Seq 3.35, 3.45 A assign (resid 107 and name HA) (resid 110 and name HB*) 2.65 0.85 0.85 ! 0.9778 2922:20 Mid 2.85, 3.79 A assign (resid 25 and name HB2) (resid 61 and name HB1) 3.65 1.85 1.85 ! 0.9982 2923:20 Long 2.26, 3.34 A assign (resid 43 and name HG2) (resid 33 and name HD*) 2.65 0.85 0.85 ! 0.8185 2924:20 Ambig 1.89, 4.25 A or (resid 91 and name HB) (resid 91 and name HG11) ! 0.1741 2924:20 ----- 2.45, 2.47 A assign (resid 111 and name HD2*) (resid 114 and name HB2) 3.15 1.35 1.35 ! 0.8858 2925:20 Ambig 4.14, 5.69 A or (resid 95 and name HD2*) (resid 114 and name HB2) ! 0.0974 2925:20 ----- 5.99, 7.04 A assign (resid 91 and name HN) (resid 94 and name HD1*) 3.65 1.85 1.85 ! 0.8399 2926:20 Ambig 3.97, 5.13 A or (resid 93 and name HN) (resid 94 and name HD1*) ! 0.1467 2926:20 ----- 5.31, 6.11 A assign (resid 91 and name HN) (resid 52 and name HD1*) 3.65 1.85 1.85 ! 0.5188 2927:20 Ambig 6.45, 7.38 A or (resid 93 and name HN) (resid 52 and name HD1*) ! 0.1830 2927:20 ----- 7.68, 8.42 A or (resid 91 and name HN) (resid 52 and name HD2*) ! 0.1719 2927:20 ----- 7.76, 8.93 A or (resid 26 and name HN) (resid 52 and name HD2*) ! 0.1262 2927:20 ----- 8.17, 9.30 A assign (resid 68 and name HD*) (resid 118 and name HD1*) 3.15 1.35 1.35 ! 0.8543 2928:20 Ambig 4.23, 6.66 A or (resid 40 and name HD*) (resid 35 and name HG*) ! 0.0953 2928:20 ----- 6.09, 7.74 A assign (resid 115 and name HD*) (resid 52 and name HD1*) 3.15 1.35 1.35 ! 0.5969 2929:20 Ambig 4.00, 5.33 A or (resid 115 and name HD*) (resid 52 and name HD2*) ! 0.3755 2929:20 ----- 4.32, 6.16 A assign (resid 115 and name HD*) (resid 94 and name HD1*) 3.65 1.85 1.85 ! 0.8914 2930:20 Ambig 3.71, 5.95 A or (resid 55 and name HE) (resid 94 and name HD1*) ! 0.1086 2930:20 ----- 5.27, 7.77 A assign (resid 137 and name HA) (resid 141 and name HB1) 3.65 1.85 1.85 ! 0.6030 2931:20 Ambig 3.49, 4.82 A or (resid 137 and name HA) (resid 142 and name HB1) ! 0.1851 2931:20 ----- 4.25, 6.91 A or (resid 138 and name HA) (resid 142 and name HB1) ! 0.0810 2931:20 ----- 4.88, 7.81 A or (resid 138 and name HA) (resid 141 and name HB1) ! 0.0458 2931:20 ----- 5.36, 6.15 A assign (resid 137 and name HA) (resid 141 and name HB2) 3.65 1.85 1.85 ! 0.9822 2932:20 Ambig 1.86, 4.04 A or (resid 138 and name HA) (resid 141 and name HB2) ! 0.0000 2932:20 ----- 0.00, 0.00 A or (resid 140 and name HA) (resid 141 and name HB2) ! 0.0000 2932:20 ----- 0.00, 0.00 A assign (resid 141 and name HA) (resid 141 and name HB1) 2.65 0.85 0.85 ! 0.9542 2933:20 Intra 2.43, 2.53 A assign (resid 61 and name HB2) (resid 25 and name HG*) 2.65 0.85 0.85 ! 0.5428 2935:20 Ambig 2.37, 4.15 A or (resid 25 and name HE*) (resid 25 and name HG*) ! 0.4529 2935:20 ----- 2.45, 3.21 A assign (resid 40 and name HB1) (resid 36 and name HD1*) 3.15 1.35 1.35 ! 0.9905 2936:20 Mid 2.63, 3.81 A assign (resid 57 and name HB1) (resid 60 and name HG) 3.65 1.85 1.85 ! 0.0000 2937:20 Mid 4.37, 4.50 A assign (resid 115 and name HB2) (resid 52 and name HD1*) 3.65 1.85 1.85 ! 0.5460 2938:20 Ambig 4.90, 6.32 A or (resid 115 and name HB2) (resid 52 and name HD2*) ! 0.2799 2938:20 ----- 5.48, 6.74 A or (resid 51 and name HE*) (resid 52 and name HD1*) ! 0.1090 2938:20 ----- 6.42, 8.50 A assign (resid 53 and name HB2) (resid 52 and name HD2*) 3.65 1.85 1.85 ! 0.4055 2939:20 Ambig 6.19, 7.19 A or (resid 53 and name HB2) (resid 52 and name HD1*) ! 0.1789 2939:20 ----- 7.09, 7.85 A or (resid 68 and name HB2) (resid 52 and name HD2*) ! 0.1713 2939:20 ----- 7.14, 7.98 A or (resid 68 and name HB2) (resid 52 and name HD1*) ! 0.1462 2939:20 ----- 7.33, 8.31 A assign (resid 50 and name HG2) (resid 28 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2940:20 Long 4.59, 5.42 A assign (resid 52 and name HG) (resid 94 and name HD1*) 3.15 1.35 1.35 ! 0.6177 2942:20 Ambig 4.32, 5.45 A or (resid 91 and name HG11) (resid 94 and name HD1*) ! 0.2406 2942:20 ----- 5.05, 6.27 A or (resid 114 and name HB1) (resid 94 and name HD1*) ! 0.1147 2942:20 ----- 5.72, 7.01 A assign (resid 63 and name HD1*) (resid 60 and name HD2*) 2.65 0.85 0.85 ! 0.0000 2943:20 Mid 2.00, 3.63 A assign (resid 91 and name HD1*) (resid 111 and name HD1*) 2.65 0.85 0.85 ! 0.9818 2944:20 Long 2.25, 3.81 A assign (resid 109 and name HN) (resid 108 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2945:20 Seq 3.64, 4.42 A assign (resid 86 and name HZ2) (resid 63 and name HD2*) 3.65 1.85 1.85 ! 0.9927 2946:20 Long 3.64, 4.74 A assign (resid 17 and name HA) (resid 36 and name HD2*) 3.15 1.35 1.35 ! 0.9862 2948:20 Long 3.21, 4.36 A assign (resid 62 and name HA) (resid 63 and name HD2*) 3.65 1.85 1.85 ! 0.7531 2949:20 Ambig 5.23, 6.34 A or (resid 86 and name HA) (resid 63 and name HD2*) ! 0.2203 2949:20 ----- 6.42, 7.33 A assign (resid 107 and name HA) (resid 108 and name HG2*) 3.65 1.85 1.85 ! 0.6866 2950:20 Ambig 5.25, 6.13 A or (resid 81 and name HA) (resid 108 and name HG2*) ! 0.3134 2950:20 ----- 5.98, 6.81 A assign (resid 50 and name HA) (resid 28 and name HD2*) 2.65 0.85 0.85 ! 0.0000 2951:20 Long 2.27, 3.27 A assign (resid 65 and name HE*) (resid 63 and name HD2*) 3.65 1.85 1.85 ! 0.8039 2952:20 Ambig 5.11, 7.52 A or (resid 59 and name HB2) (resid 63 and name HD2*) ! 0.1961 2952:20 ----- 6.46, 7.04 A assign (resid 60 and name HB2) (resid 63 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2953:20 Mid 4.79, 5.98 A assign (resid 89 and name HB1) (resid 63 and name HD1*) 3.65 1.85 1.85 ! 0.4938 2954:20 Ambig 6.33, 7.13 A or (resid 89 and name HB2) (resid 63 and name HD1*) ! 0.2634 2954:20 ----- 7.02, 7.97 A or (resid 57 and name HG1) (resid 63 and name HD1*) ! 0.1542 2954:20 ----- 7.68, 8.97 A assign (resid 89 and name HD*) (resid 63 and name HD1*) 3.65 1.85 1.85 ! 0.7755 2955:20 Ambig 5.02, 6.24 A or (resid 57 and name HG2) (resid 63 and name HD1*) ! 0.1845 2955:20 ----- 6.37, 7.60 A assign (resid 59 and name HB2) (resid 63 and name HD1*) 3.65 1.85 1.85 ! 0.9914 2956:20 Mid 3.35, 4.35 A assign (resid 63 and name HB2) (resid 63 and name HD1*) 2.65 0.85 0.85 ! 0.9611 2957:20 Intra 2.43, 3.01 A assign (resid 92 and name HN) (resid 91 and name HG2*) 3.15 1.35 1.35 ! 0.9748 2958:20 Seq 3.80, 4.53 A assign (resid 70 and name HD*) (resid 121 and name HG2*) 3.65 1.85 1.85 ! 0.9203 2959:20 Long 4.91, 6.95 A assign (resid 80 and name HE*) (resid 71 and name HG2*) 3.15 1.35 1.35 ! 0.9266 2960:20 Long 3.93, 6.44 A assign (resid 80 and name HD*) (resid 71 and name HG2*) 3.15 1.35 1.35 ! 0.8947 2961:20 Ambig 2.90, 5.47 A or (resid 14 and name HE*) (resid 71 and name HG2*) ! 0.1035 2961:20 ----- 4.16, 6.07 A assign (resid 120 and name HD*) (resid 69 and name HG2*) 3.65 1.85 1.85 ! 0.5296 2962:20 Ambig 5.66, 7.25 A or (resid 120 and name HD*) (resid 122 and name HG2*) ! 0.2805 2962:20 ----- 6.29, 9.06 A or (resid 70 and name HE*) (resid 69 and name HG2*) ! 0.0972 2962:20 ----- 7.51, 8.37 A assign (resid 27 and name HA) (resid 22 and name HG2*) 3.15 1.35 1.35 ! 0.9387 2963:20 Long 3.30, 4.25 A assign (resid 87 and name HB1) (resid 90 and name HB*) 3.65 1.85 1.85 ! 0.5782 2964:20 Ambig 4.29, 5.35 A or (resid 86 and name HB1) (resid 90 and name HB*) ! 0.2658 2964:20 ----- 4.88, 6.00 A or (resid 86 and name HB2) (resid 90 and name HB*) ! 0.1395 2964:20 ----- 5.43, 6.40 A assign (resid 87 and name HB2) (resid 90 and name HB*) 3.65 1.85 1.85 ! 0.7643 2965:20 Ambig 5.25, 6.18 A or (resid 68 and name HB1) (resid 90 and name HB*) ! 0.2357 2965:20 ----- 6.39, 7.42 A assign (resid 89 and name HB1) (resid 90 and name HB*) 3.15 1.35 1.35 ! 0.8291 2966:20 Ambig 4.25, 5.14 A or (resid 89 and name HB2) (resid 90 and name HB*) ! 0.1215 2966:20 ----- 5.85, 6.61 A assign (resid 56 and name HB) (resid 90 and name HB*) 2.65 0.85 0.85 ! 0.5420 2967:20 Ambig 3.98, 5.02 A or (resid 91 and name HB) (resid 90 and name HB*) ! 0.1933 2967:20 ----- 4.72, 5.69 A or (resid 89 and name HD*) (resid 90 and name HB*) ! 0.0581 2967:20 ----- 5.77, 7.35 A or (resid 94 and name HB1) (resid 90 and name HB*) ! 0.0475 2967:20 ----- 5.97, 6.98 A or (resid 93 and name HG11) (resid 90 and name HB*) ! 0.0410 2967:20 ----- 6.11, 6.44 A or (resid 57 and name HG2) (resid 90 and name HB*) ! 0.0364 2967:20 ----- 6.24, 7.28 A assign (resid 26 and name HB2) (resid 27 and name HB*) 3.65 1.85 1.85 ! 0.9888 2968:20 Seq 4.15, 5.00 A assign (resid 22 and name HB) (resid 27 and name HB*) 3.15 1.35 1.35 ! 0.8359 2969:20 Ambig 3.85, 4.93 A or (resid 32 and name HB1) (resid 27 and name HB*) ! 0.1561 2969:20 ----- 5.09, 6.15 A assign (resid 46 and name HB2) (resid 27 and name HB*) 3.15 1.35 1.35 ! 0.4737 2970:20 Ambig 4.44, 5.83 A or (resid 31 and name HB1) (resid 27 and name HB*) ! 0.2194 2970:20 ----- 5.05, 6.16 A or (resid 28 and name HB1) (resid 27 and name HB*) ! 0.0972 2970:20 ----- 5.78, 6.65 A or (resid 46 and name HB1) (resid 27 and name HB*) ! 0.0808 2970:20 ----- 5.97, 7.27 A or (resid 52 and name HB1) (resid 27 and name HB*) ! 0.0433 2970:20 ----- 6.62, 7.45 A assign (resid 68 and name HB2) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.9683 2971:20 Mid 5.06, 6.23 A assign (resid 24 and name HB) (resid 66 and name HG2*) 3.65 1.85 1.85 ! 0.6293 2972:20 Ambig 5.41, 6.28 A or (resid 48 and name HB2) (resid 66 and name HG2*) ! 0.1557 2972:20 ----- 6.83, 8.35 A or (resid 48 and name HB1) (resid 66 and name HG2*) ! 0.1186 2972:20 ----- 7.15, 8.55 A assign (resid 32 and name HD2*) (resid 27 and name HB*) 2.30 0.50 0.50 ! 0.8169 2974:20 Ambig 2.22, 3.89 A or (resid 44 and name HG2*) (resid 27 and name HB*) ! 0.1306 2974:20 ----- 3.02, 4.47 A assign (resid 122 and name HN) (resid 71 and name HD1*) 3.65 1.85 1.85 ! 0.8051 2975:20 Ambig 3.40, 4.64 A or (resid 72 and name HN) (resid 71 and name HD1*) ! 0.1949 2975:20 ----- 4.30, 5.11 A assign (resid 70 and name HN) (resid 71 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2976:20 Seq 4.17, 5.36 A assign (resid 91 and name HN) (resid 56 and name HD1*) 3.65 1.85 1.85 ! 0.5393 2977:20 Ambig 5.41, 6.24 A or (resid 93 and name HN) (resid 56 and name HD1*) ! 0.2885 2977:20 ----- 6.01, 6.87 A or (resid 62 and name HN) (resid 56 and name HD1*) ! 0.1721 2977:20 ----- 6.55, 7.42 A assign (resid 61 and name HN) (resid 56 and name HD1*) 3.15 1.35 1.35 ! 0.8420 2978:20 Ambig 4.91, 5.73 A or (resid 65 and name HN) (resid 56 and name HD1*) ! 0.0804 2978:20 ----- 7.26, 7.68 A assign (resid 68 and name HD*) (resid 119 and name HD1*) 2.65 0.85 0.85 ! 0.9790 2979:20 Long 3.77, 6.03 A assign (resid 25 and name HN) (resid 24 and name HD1*) 3.15 1.35 1.35 ! 0.6237 2980:20 Ambig 4.88, 5.56 A or (resid 56 and name HN) (resid 24 and name HD1*) ! 0.3502 2980:20 ----- 5.37, 6.16 A assign (resid 120 and name HZ) (resid 34 and name HD1*) 3.65 1.85 1.85 ! 0.9856 2981:20 Long 2.50, 3.75 A assign (resid 116 and name HA) (resid 119 and name HD1*) 3.15 1.35 1.35 ! 0.9096 2982:20 Mid 4.03, 5.14 A assign (resid 53 and name HA) (resid 24 and name HD1*) 3.15 1.35 1.35 ! 0.9416 2983:20 Long 3.30, 4.53 A assign (resid 53 and name HB1) (resid 24 and name HD1*) 3.15 1.35 1.35 ! 0.8431 2984:20 Ambig 3.74, 4.98 A or (resid 61 and name HB2) (resid 24 and name HD1*) ! 0.1569 2984:20 ----- 4.95, 5.96 A assign (resid 57 and name HD2) (resid 56 and name HD1*) 3.15 1.35 1.35 ! 0.5942 2985:20 Ambig 4.23, 4.62 A or (resid 53 and name HA) (resid 56 and name HD1*) ! 0.3310 2985:20 ----- 4.66, 5.67 A assign (resid 18 and name HD1) (resid 69 and name HD1*) 2.65 0.85 0.85 ! 0.4917 2986:20 Ambig 3.48, 4.73 A or (resid 18 and name HD1) (resid 122 and name HD1*) ! 0.4616 2986:20 ----- 3.52, 5.09 A assign (resid 120 and name HB2) (resid 69 and name HD1*) 2.65 0.85 0.85 ! 0.5172 2987:20 Ambig 3.37, 4.29 A or (resid 120 and name HB2) (resid 122 and name HD1*) ! 0.3857 2987:20 ----- 3.54, 4.98 A assign (resid 57 and name HG1) (resid 93 and name HD1*) 2.65 0.85 0.85 ! 0.9827 2988:20 Long 2.23, 3.12 A assign (resid 32 and name HB1) (resid 44 and name HD1*) 3.65 1.85 1.85 ! 0.2463 2989:20 Ambig 4.44, 5.66 A or (resid 20 and name HG1) (resid 34 and name HD1*) ! 0.2358 2989:20 ----- 4.47, 5.71 A or (resid 98 and name HG1) (resid 99 and name HD1*) ! 0.1595 2989:20 ----- 4.78, 6.85 A or (resid 22 and name HB) (resid 44 and name HD1*) ! 0.1424 2989:20 ----- 4.87, 5.64 A or (resid 98 and name HG2) (resid 99 and name HD1*) ! 0.0988 2989:20 ----- 5.17, 6.95 A or (resid 20 and name HG1) (resid 44 and name HD1*) ! 0.0472 2989:20 ----- 5.85, 7.37 A assign (resid 64 and name HB) (resid 24 and name HD1*) 3.15 1.35 1.35 ! 0.9688 2990:20 Long 2.26, 2.94 A assign (resid 53 and name HB2) (resid 24 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2991:20 Long 4.96, 6.12 A assign (resid 24 and name HG11) (resid 24 and name HD1*) 2.30 0.50 0.50 ! 0.9406 2992:20 Intra 2.40, 2.62 A assign (resid 111 and name HB1) (resid 119 and name HD1*) 2.65 0.85 0.85 ! 0.9900 2993:20 Long 2.01, 2.59 A assign (resid 5 and name HG12) (resid 5 and name HD1*) 2.30 0.50 0.50 ! 0.4994 2994:20 Ambig 2.37, 2.62 A or (resid 2 and name HG12) (resid 2 and name HD1*) ! 0.4855 2994:20 ----- 2.38, 2.62 A assign (resid 2 and name HB) (resid 2 and name HD1*) 2.30 0.50 0.50 ! 0.3360 2995:20 Ambig 2.53, 3.32 A or (resid 76 and name HB) (resid 76 and name HD1*) ! 0.3353 2995:20 ----- 2.53, 3.49 A or (resid 5 and name HB) (resid 5 and name HD1*) ! 0.2994 2995:20 ----- 2.58, 3.80 A assign (resid 8 and name HG12) (resid 8 and name HD1*) 2.30 0.50 0.50 ! 0.9823 2996:20 Intra 2.39, 2.62 A assign (resid 28 and name HG) (resid 24 and name HG2*) 2.65 0.85 0.85 ! 0.8400 2997:20 Ambig 2.85, 3.78 A or (resid 27 and name HB*) (resid 24 and name HG2*) ! 0.1001 2997:20 ----- 4.06, 5.99 A assign (resid 91 and name HD1*) (resid 119 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2998:20 Long 4.94, 6.25 A assign (resid 91 and name HD1*) (resid 103 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2999:20 Long 3.91, 5.59 A assign (resid 108 and name HG2*) (resid 121 and name HD1*) 3.15 1.35 1.35 ! 0.0000 3000:20 Long 4.72, 6.15 A assign (resid 87 and name HB1) (resid 91 and name HD1*) 3.65 1.85 1.85 ! 0.0000 3001:20 Mid 4.65, 5.64 A assign (resid 108 and name HA) (resid 91 and name HD1*) 3.65 1.85 1.85 ! 0.4733 3002:20 Ambig 5.81, 6.94 A or (resid 107 and name HB1) (resid 91 and name HD1*) ! 0.3578 3002:20 ----- 6.09, 7.45 A or (resid 70 and name HB1) (resid 91 and name HD1*) ! 0.0880 3002:20 ----- 7.69, 8.43 A assign (resid 94 and name HD1*) (resid 91 and name HD1*) 2.30 0.50 0.50 ! 0.9937 3003:20 Mid 2.16, 4.21 A assign (resid 111 and name HD2*) (resid 91 and name HD1*) 2.30 0.50 0.50 ! 0.7714 3004:20 Ambig 3.14, 4.66 A or (resid 81 and name HG1*) (resid 91 and name HD1*) ! 0.1928 3004:20 ----- 3.96, 5.21 A assign (resid 45 and name HE*) (resid 43 and name HG2) 3.65 1.85 1.85 ! 0.0000 3005:20 Mid 3.21, 5.77 A assign (resid 33 and name HE*) (resid 43 and name HG2) 3.65 1.85 1.85 ! 0.9966 3006:20 Long 1.96, 4.43 A assign (resid 120 and name HB1) (resid 122 and name HD1*) 2.65 0.85 0.85 ! 0.9756 3007:20 Mid 2.28, 3.59 A assign (resid 18 and name HD2) (resid 69 and name HD1*) 2.65 0.85 0.85 ! 0.9461 3008:20 Long 2.27, 3.60 A assign (resid 103 and name HD1*) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.0000 3009:20 Long 3.91, 5.59 A assign (resid 58 and name HG) (resid 58 and name HD1*) 2.65 0.85 0.85 ! 0.9988 3010:20 Intra 2.36, 2.60 A assign (resid 58 and name HB2) (resid 58 and name HD1*) 2.65 0.85 0.85 ! 0.9984 3011:20 Intra 2.41, 3.82 A assign (resid 58 and name HB1) (resid 58 and name HD1*) 2.65 0.85 0.85 ! 0.0000 3012:20 Intra 2.51, 3.19 A assign (resid 58 and name HA) (resid 58 and name HD1*) 3.15 1.35 1.35 ! 0.0000 3013:20 Intra 2.39, 3.88 A assign (resid 56 and name HG2*) (resid 52 and name HD1*) 3.15 1.35 1.35 ! 0.6220 3014:20 Ambig 3.51, 4.82 A or (resid 56 and name HG2*) (resid 52 and name HD2*) ! 0.3636 3014:20 ----- 3.84, 5.39 A assign (resid 91 and name HD1*) (resid 94 and name HD1*) 3.15 1.35 1.35 ! 0.0000 3015:20 Mid 2.16, 4.21 A assign (resid 93 and name HD1*) (resid 89 and name HG1) 2.65 0.85 0.85 ! 0.9245 3017:20 Mid 3.18, 4.27 A assign (resid 89 and name HB1) (resid 89 and name HG2) 2.30 0.50 0.50 ! 0.7865 3018:20 Ambig 2.37, 2.43 A or (resid 89 and name HB2) (resid 89 and name HG2) ! 0.2013 3018:20 ----- 2.97, 3.01 A assign (resid 111 and name HB2) (resid 111 and name HD1*) 2.65 0.85 0.85 ! 0.3813 3019:20 Ambig 2.39, 3.00 A or (resid 95 and name HB2) (resid 95 and name HD1*) ! 0.3790 3019:20 ----- 2.40, 3.00 A or (resid 97 and name HG*) (resid 95 and name HD1*) ! 0.1880 3019:20 ----- 2.69, 5.09 A assign (resid 58 and name HB1) (resid 58 and name HG) 2.65 0.85 0.85 ! 0.9899 3020:20 Intra 2.45, 2.48 A assign (resid 58 and name HB2) (resid 58 and name HG) 2.65 0.85 0.85 ! 0.9428 3021:20 Intra 2.35, 2.44 A assign (resid 64 and name HB) (resid 24 and name HG12) 3.15 1.35 1.35 ! 0.7661 3022:20 Ambig 3.62, 3.78 A or (resid 52 and name HB1) (resid 24 and name HG12) ! 0.1807 3022:20 ----- 4.61, 4.75 A assign (resid 64 and name HG2*) (resid 86 and name HB2) 3.65 1.85 1.85 ! 0.5227 3024:20 Ambig 2.87, 3.82 A or (resid 63 and name HB1) (resid 86 and name HB2) ! 0.4728 3024:20 ----- 2.92, 3.17 A assign (resid 64 and name HG2*) (resid 86 and name HB1) 3.15 1.35 1.35 ! 0.5039 3025:20 Ambig 2.62, 3.23 A or (resid 63 and name HB1) (resid 86 and name HB1) ! 0.4949 3025:20 ----- 2.63, 2.70 A assign (resid 60 and name HD2*) (resid 86 and name HB1) 3.15 1.35 1.35 ! 0.9865 3026:20 Long 2.27, 3.95 A assign (resid 60 and name HD2*) (resid 86 and name HB2) 3.15 1.35 1.35 ! 0.5668 3027:20 Ambig 4.01, 5.68 A or (resid 64 and name HG1*) (resid 86 and name HB2) ! 0.4230 3027:20 ----- 4.21, 5.25 A assign (resid 130 and name HG2*) (resid 131 and name HB*) 3.15 1.35 1.35 ! 0.8005 3028:20 Ambig 3.20, 6.59 A or (resid 133 and name HG2*) (resid 137 and name HB1) ! 0.0945 3028:20 ----- 4.57, 5.97 A or (resid 130 and name HG2*) (resid 134 and name HB1) ! 0.0664 3028:20 ----- 4.84, 6.95 A assign (resid 135 and name HD2*) (resid 134 and name HB1) 2.65 0.85 0.85 ! 0.6578 3030:20 Ambig 2.39, 4.21 A or (resid 135 and name HD2*) (resid 131 and name HB*) ! 0.1393 3030:20 ----- 3.09, 5.64 A or (resid 135 and name HD1*) (resid 131 and name HB*) ! 0.1156 3030:20 ----- 3.19, 6.43 A assign (resid 139 and name HG) (resid 138 and name HG1) 3.15 1.35 1.35 ! 0.9793 3031:20 Seq 2.05, 3.71 A assign (resid 133 and name HG2*) (resid 137 and name HG1) 3.15 1.35 1.35 ! 0.8153 3032:20 Ambig 2.17, 3.75 A or (resid 130 and name HG2*) (resid 131 and name HG1) ! 0.1724 3032:20 ----- 2.80, 6.59 A assign (resid 135 and name HD2*) (resid 134 and name HG1) 2.65 0.85 0.85 ! 0.8791 3033:20 Ambig 2.43, 4.82 A or (resid 112 and name HD1*) (resid 109 and name HG1) ! 0.0759 3033:20 ----- 3.66, 5.08 A assign (resid 46 and name HG2) (resid 50 and name HG2) 3.15 1.35 1.35 ! 0.8925 3034:20 Ambig 3.05, 3.51 A or (resid 28 and name HG) (resid 50 and name HG2) ! 0.0724 3034:20 ----- 4.63, 4.99 A assign (resid 137 and name HB2) (resid 137 and name HG1) 2.65 0.85 0.85 ! 0.4157 3035:20 Ambig 2.33, 2.42 A or (resid 134 and name HB2) (resid 134 and name HG1) ! 0.3246 3035:20 ----- 2.43, 2.92 A or (resid 135 and name HB*) (resid 132 and name HG1) ! 0.1319 3035:20 ----- 2.82, 6.14 A or (resid 108 and name HB) (resid 109 and name HG1) ! 0.0307 3035:20 ----- 3.60, 3.95 A assign (resid 46 and name HG2) (resid 50 and name HG1) 2.30 0.50 0.50 ! 0.4940 3036:20 Ambig 2.32, 2.58 A or (resid 46 and name HG1) (resid 50 and name HG1) ! 0.3569 3036:20 ----- 2.45, 3.11 A or (resid 33 and name HD*) (resid 43 and name HG1) ! 0.0957 3036:20 ----- 3.05, 4.62 A assign (resid 133 and name HG2*) (resid 137 and name HG2) 2.65 0.85 0.85 ! 0.6023 3037:20 Ambig 2.18, 3.75 A or (resid 130 and name HG2*) (resid 131 and name HG2) ! 0.3723 3037:20 ----- 2.36, 5.26 A assign (resid 67 and name HG2) (resid 67 and name HB2) 2.65 0.85 0.85 ! 0.9733 3038:20 Intra 2.31, 2.33 A assign (resid 18 and name HG2) (resid 67 and name HB2) 2.65 0.85 0.85 ! 0.6560 3039:20 Ambig 2.81, 3.13 A or (resid 69 and name HD1*) (resid 67 and name HB2) ! 0.3200 3039:20 ----- 3.17, 4.20 A assign (resid 34 and name HG2*) (resid 33 and name HB*) 3.15 1.35 1.35 ! 0.5635 3040:20 Ambig 5.45, 6.79 A or (resid 44 and name HD1*) (resid 33 and name HB*) ! 0.3134 3040:20 ----- 6.01, 7.48 A or (resid 34 and name HD1*) (resid 33 and name HB*) ! 0.1232 3040:20 ----- 7.02, 8.07 A assign (resid 129 and name HB*) (resid 131 and name HG1) 2.65 0.85 0.85 ! 0.6482 3042:20 Ambig 2.18, 4.77 A or (resid 46 and name HE2) (resid 50 and name HG2) ! 0.2808 3042:20 ----- 2.50, 3.66 A assign (resid 26 and name HB1) (resid 22 and name HB) 2.30 0.50 0.50 ! 0.9567 3043:20 Mid 2.03, 2.13 A assign (resid 73 and name HB*) (resid 75 and name HG*) 4.15 2.35 2.35 ! 0.0000 3045:20 Mid 6.44, 7.86 A assign (resid 108 and name HB) (resid 105 and name HB*) 3.65 1.85 1.85 ! 0.8331 3046:20 Ambig 4.05, 5.12 A or (resid 104 and name HG) (resid 105 and name HB*) ! 0.0739 3046:20 ----- 6.06, 7.17 A assign (resid 132 and name HB2) (resid 129 and name HB*) 3.15 1.35 1.35 ! 0.5262 3047:20 Ambig 1.93, 3.44 A or (resid 132 and name HB1) (resid 129 and name HB*) ! 0.3448 3047:20 ----- 2.07, 3.70 A or (resid 131 and name HB*) (resid 129 and name HB*) ! 0.1273 3047:20 ----- 2.44, 4.98 A assign (resid 109 and name HG1) (resid 105 and name HB*) 3.15 1.35 1.35 ! 0.9525 3048:20 Mid 3.63, 4.99 A assign (resid 44 and name HA) (resid 44 and name HB) 3.65 1.85 1.85 ! 0.9973 3049:20 Intra 3.02, 3.03 A assign (resid 118 and name HB2) (resid 115 and name HB1) 3.15 1.35 1.35 ! 0.9905 3050:20 Mid 2.15, 2.28 A assign (resid 71 and name HB) (resid 80 and name HB1) 2.65 0.85 0.85 ! 0.8630 3051:20 Ambig 3.50, 3.53 A or (resid 81 and name HB) (resid 80 and name HB1) ! 0.0814 3051:20 ----- 5.19, 5.32 A assign (resid 71 and name HG2*) (resid 80 and name HB1) 3.15 1.35 1.35 ! 0.4936 3052:20 Ambig 5.24, 5.81 A or (resid 71 and name HD1*) (resid 80 and name HB1) ! 0.2177 3052:20 ----- 6.00, 6.47 A or (resid 69 and name HG2*) (resid 80 and name HB1) ! 0.1405 3052:20 ----- 6.46, 7.75 A or (resid 81 and name HG1*) (resid 80 and name HB1) ! 0.1274 3052:20 ----- 6.56, 7.16 A assign (resid 9 and name HA2) (resid 12 and name HB2) 3.65 1.85 1.85 ! 0.8421 3053:20 Ambig 3.01, 6.54 A or (resid 13 and name HA) (resid 12 and name HB2) ! 0.1579 3053:20 ----- 3.98, 4.43 A assign (resid 15 and name HB*) (resid 12 and name HB1) 3.15 1.35 1.35 ! 0.0000 3054:20 Mid 3.51, 5.19 A assign (resid 41 and name HA) (resid 41 and name HB2) 3.15 1.35 1.35 ! 0.9772 3056:20 Intra 2.99, 3.01 A assign (resid 113 and name HA) (resid 113 and name HD*) 2.30 0.50 0.50 ! 0.7429 3057:20 Ambig 2.22, 3.63 A or (resid 52 and name HA) (resid 55 and name HD*) ! 0.1659 3057:20 ----- 2.84, 4.02 A assign (resid 55 and name HA) (resid 55 and name HD*) 3.15 1.35 1.35 ! 0.9812 3058:20 Intra 4.30, 4.60 A assign (resid 129 and name HB*) (resid 133 and name HB) 4.15 2.35 2.35 ! 0.0000 3060:20 Mid 5.85, 6.56 A assign (resid 119 and name HN) (resid 116 and name HB) 3.65 1.85 1.85 ! 0.6192 3061:20 Ambig 5.83, 5.98 A or (resid 48 and name HN) (resid 116 and name HB) ! 0.2019 3061:20 ----- 7.02, 7.60 A or (resid 115 and name HD*) (resid 116 and name HB) ! 0.1789 3061:20 ----- 7.17, 7.99 A assign (resid 134 and name HN) (resid 133 and name HB) 3.65 1.85 1.85 ! 0.9417 3062:20 Seq 2.34, 2.63 A assign (resid 129 and name HB*) (resid 130 and name HB) 3.65 1.85 1.85 ! 0.0000 3063:20 Seq 4.18, 5.87 A assign (resid 116 and name HN) (resid 116 and name HB) 3.65 1.85 1.85 ! 0.0000 3064:20 Intra 2.50, 2.57 A assign (resid 86 and name HB1) (resid 64 and name HA) 3.15 1.35 1.35 ! 0.8807 3067:20 Ambig 3.28, 3.48 A or (resid 87 and name HB1) (resid 64 and name HA) ! 0.0839 3067:20 ----- 4.85, 5.45 A assign (resid 75 and name HG*) (resid 74 and name HB2) 3.15 1.35 1.35 ! 0.7578 3068:20 Ambig 2.10, 3.60 A or (resid 132 and name HG2) (resid 136 and name HB*) ! 0.0782 3068:20 ----- 3.07, 5.71 A or (resid 137 and name HG2) (resid 136 and name HB*) ! 0.0541 3068:20 ----- 3.27, 4.37 A or (resid 140 and name HG1) (resid 136 and name HB*) ! 0.0454 3068:20 ----- 3.36, 5.97 A assign (resid 75 and name HG*) (resid 74 and name HB1) 3.15 1.35 1.35 ! 0.9252 3069:20 Seq 2.84, 4.57 A assign (resid 22 and name HN) (resid 22 and name HA) 3.15 1.35 1.35 ! 0.0000 3070:20 Intra 2.90, 2.92 A assign (resid 22 and name HN) (resid 21 and name HA) 2.65 0.85 0.85 ! 0.8178 3071:20 Ambig 2.23, 2.33 A or (resid 79 and name HN) (resid 79 and name HA) ! 0.1617 3071:20 ----- 2.92, 2.93 A assign (resid 79 and name HD*) (resid 79 and name HB1) 3.15 1.35 1.35 ! 0.9982 3072:20 Intra 2.30, 3.02 A assign (resid 107 and name HA) (resid 107 and name HB1) 2.65 0.85 0.85 ! 0.9660 3074:20 Intra 2.44, 2.52 A assign (resid 45 and name HA) (resid 45 and name HE*) 3.15 1.35 1.35 ! 0.9865 3075:20 Intra 1.98, 3.09 A assign (resid 86 and name HA) (resid 89 and name HE*) 3.15 1.35 1.35 ! 0.6214 3076:20 Ambig 3.30, 4.37 A or (resid 117 and name HB1) (resid 45 and name HE*) ! 0.3059 3076:20 ----- 3.71, 4.37 A assign (resid 134 and name HG2) (resid 133 and name HB) 3.65 1.85 1.85 ! 0.4926 3077:20 Ambig 3.90, 6.50 A or (resid 137 and name HG2) (resid 133 and name HB) ! 0.2464 3077:20 ----- 4.38, 5.22 A or (resid 132 and name HG2) (resid 133 and name HB) ! 0.1147 3077:20 ----- 4.97, 6.44 A or (resid 134 and name HG1) (resid 133 and name HB) ! 0.0766 3077:20 ----- 5.32, 6.61 A assign (resid 134 and name HB1) (resid 133 and name HB) 3.65 1.85 1.85 ! 0.6150 3078:20 Ambig 4.74, 5.11 A or (resid 132 and name HB2) (resid 133 and name HB) ! 0.2123 3078:20 ----- 5.67, 6.22 A or (resid 131 and name HB*) (resid 133 and name HB) ! 0.1036 3078:20 ----- 6.38, 7.11 A assign (resid 49 and name HA) (resid 49 and name HB) 2.65 0.85 0.85 ! 0.9843 3079:20 Intra 3.03, 3.04 A assign (resid 143 and name HD2) (resid 137 and name HB2) 3.15 1.35 1.35 ! 0.9027 3080:20 Long 2.11, 4.03 A assign (resid 68 and name HD*) (resid 119 and name HG12) 2.65 0.85 0.85 ! 0.9856 3081:20 Long 2.42, 4.11 A assign (resid 13 and name HA) (resid 13 and name HD1*) 3.15 1.35 1.35 ! 0.0000 3082:20 Intra 2.15, 4.03 A assign (resid 59 and name HE*) (resid 59 and name HD*) 2.30 0.50 0.50 ! 0.0000 0:60 Intra 2.40, 3.68 A assign (resid 41 and name HE*) (resid 41 and name HD*) 2.30 0.50 0.50 ! 0.5028 1:60 Ambig 2.43, 3.68 A or (resid 21 and name HE*) (resid 21 and name HD*) ! 0.4947 1:60 ----- 2.44, 3.68 A assign (resid 129 and name HE*) (resid 129 and name HD*) 2.30 0.50 0.50 ! 0.0000 2:60 Intra 2.41, 3.68 A assign (resid 115 and name HA) (resid 115 and name HD*) 3.15 1.35 1.35 ! 0.0000 3:60 Intra 2.59, 3.64 A assign (resid 21 and name HA) (resid 21 and name HD*) 2.65 0.85 0.85 ! 0.9958 4:60 Intra 2.36, 3.55 A assign (resid 41 and name HA) (resid 41 and name HD*) 3.15 1.35 1.35 ! 0.0000 5:60 Intra 2.55, 3.48 A assign (resid 78 and name HA) (resid 79 and name HD*) 3.15 1.35 1.35 ! 0.6954 7:60 Ambig 2.80, 4.82 A or (resid 79 and name HA) (resid 79 and name HD*) ! 0.2433 7:60 ----- 3.33, 3.55 A assign (resid 111 and name HA) (resid 115 and name HD*) 3.15 1.35 1.35 ! 0.5484 8:60 Ambig 2.74, 4.92 A or (resid 48 and name HA) (resid 115 and name HD*) ! 0.2623 8:60 ----- 3.10, 5.40 A or (resid 130 and name HB) (resid 129 and name HD*) ! 0.1326 8:60 ----- 3.48, 7.09 A assign (resid 52 and name HA) (resid 115 and name HD*) 3.65 1.85 1.85 ! 0.7539 9:60 Ambig 4.40, 5.49 A or (resid 51 and name HA) (resid 115 and name HD*) ! 0.0891 9:60 ----- 6.28, 8.37 A or (resid 116 and name HA) (resid 115 and name HD*) ! 0.0763 9:60 ----- 6.44, 6.83 A assign (resid 59 and name HA) (resid 59 and name HD*) 3.15 1.35 1.35 ! 0.0000 10:60 Intra 2.71, 3.67 A assign (resid 60 and name HA) (resid 59 and name HD*) 3.65 1.85 1.85 ! 0.5634 11:60 Ambig 5.26, 6.09 A or (resid 57 and name HD1) (resid 59 and name HD*) ! 0.4030 11:60 ----- 5.56, 7.53 A assign (resid 20 and name HA) (resid 21 and name HD*) 3.15 1.35 1.35 ! 0.9871 12:60 Seq 3.55, 4.70 A assign (resid 66 and name HA) (resid 21 and name HD*) 3.65 1.85 1.85 ! 0.0000 13:60 Long 3.80, 5.85 A assign (resid 129 and name HA) (resid 129 and name HD*) 2.65 0.85 0.85 ! 0.9203 14:60 Intra 2.05, 3.64 A assign (resid 115 and name HB1) (resid 115 and name HD*) 2.65 0.85 0.85 ! 0.0000 15:60 Intra 2.58, 3.08 A assign (resid 59 and name HB1) (resid 59 and name HD*) 2.65 0.85 0.85 ! 0.9987 16:60 Intra 2.55, 3.05 A assign (resid 67 and name HD*) (resid 21 and name HD*) 3.15 1.35 1.35 ! 0.0000 17:60 Long 2.10, 4.73 A assign (resid 128 and name HB1) (resid 129 and name HD*) 4.15 2.35 2.35 ! 0.8074 18:60 Ambig 2.55, 6.40 A or (resid 128 and name HB2) (resid 129 and name HD*) ! 0.1926 18:60 ----- 3.24, 6.50 A assign (resid 35 and name HD1) (resid 41 and name HD*) 3.65 1.85 1.85 ! 0.8452 19:60 Ambig 4.17, 6.33 A or (resid 18 and name HD1) (resid 21 and name HD*) ! 0.1401 19:60 ----- 5.63, 7.63 A assign (resid 35 and name HA) (resid 41 and name HD*) 3.15 1.35 1.35 ! 0.0000 20:60 Long 2.35, 3.97 A assign (resid 72 and name HA) (resid 79 and name HD*) 3.65 1.85 1.85 ! 0.9162 21:60 Long 2.80, 3.87 A assign (resid 48 and name HG1) (resid 115 and name HD*) 3.65 1.85 1.85 ! 0.7515 22:60 Ambig 4.87, 6.91 A or (resid 68 and name HB2) (resid 115 and name HD*) ! 0.1759 22:60 ----- 6.20, 7.80 A assign (resid 131 and name HG1) (resid 129 and name HD*) 3.65 1.85 1.85 ! 0.7367 23:60 Ambig 2.57, 5.68 A or (resid 132 and name HG1) (resid 129 and name HD*) ! 0.2050 23:60 ----- 3.18, 6.18 A assign (resid 59 and name HB2) (resid 59 and name HD*) 2.65 0.85 0.85 ! 0.0000 24:60 Intra 2.17, 2.97 A assign (resid 57 and name HB1) (resid 59 and name HD*) 3.15 1.35 1.35 ! 0.0000 25:60 Mid 3.14, 4.93 A assign (resid 129 and name HB*) (resid 129 and name HD*) 2.30 0.50 0.50 ! 0.0000 26:60 Intra 2.26, 3.04 A assign (resid 41 and name HB1) (resid 41 and name HD*) 2.65 0.85 0.85 ! 0.5528 27:60 Ambig 2.36, 3.05 A or (resid 21 and name HB1) (resid 21 and name HD*) ! 0.4127 27:60 ----- 2.48, 3.05 A assign (resid 21 and name HB2) (resid 21 and name HD*) 2.65 0.85 0.85 ! 0.5209 28:60 Ambig 2.22, 3.00 A or (resid 41 and name HB2) (resid 41 and name HD*) ! 0.4365 28:60 ----- 2.29, 3.04 A assign (resid 70 and name HB2) (resid 79 and name HD*) 2.65 0.85 0.85 ! 0.8488 29:60 Ambig 2.55, 4.64 A or (resid 105 and name HB*) (resid 79 and name HD*) ! 0.1438 29:60 ----- 3.43, 5.92 A assign (resid 79 and name HB1) (resid 79 and name HD*) 2.65 0.85 0.85 ! 0.6480 30:60 Ambig 2.30, 3.02 A or (resid 79 and name HB2) (resid 79 and name HD*) ! 0.3520 30:60 ----- 2.55, 3.07 A assign (resid 131 and name HB*) (resid 129 and name HD*) 2.65 0.85 0.85 ! 0.6266 31:60 Ambig 1.97, 6.07 A or (resid 132 and name HB2) (resid 129 and name HD*) ! 0.2924 31:60 ----- 2.23, 4.38 A assign (resid 118 and name HB2) (resid 115 and name HD*) 3.65 1.85 1.85 ! 0.0000 32:60 Mid 4.39, 4.68 A assign (resid 51 and name HG*) (resid 115 and name HD*) 3.15 1.35 1.35 ! 0.9653 33:60 Long 2.64, 5.46 A assign (resid 60 and name HB2) (resid 59 and name HD*) 3.65 1.85 1.85 ! 0.0000 34:60 Seq 4.91, 6.44 A assign (resid 57 and name HG1) (resid 59 and name HD*) 3.65 1.85 1.85 ! 0.9842 35:60 Mid 3.71, 5.90 A assign (resid 57 and name HG2) (resid 59 and name HD*) 3.15 1.35 1.35 ! 0.0000 36:60 Mid 3.25, 5.45 A assign (resid 57 and name HB2) (resid 59 and name HD*) 2.65 0.85 0.85 ! 0.9964 37:60 Mid 1.96, 3.83 A assign (resid 20 and name HG1) (resid 21 and name HD*) 3.65 1.85 1.85 ! 0.3989 38:60 Ambig 5.48, 6.46 A or (resid 20 and name HG1) (resid 41 and name HD*) ! 0.3220 38:60 ----- 5.68, 8.02 A or (resid 43 and name HG1) (resid 41 and name HD*) ! 0.2250 38:60 ----- 6.03, 7.10 A assign (resid 34 and name HB) (resid 21 and name HD*) 3.15 1.35 1.35 ! 0.2737 39:60 Ambig 4.73, 6.39 A or (resid 20 and name HB*) (resid 21 and name HD*) ! 0.1583 39:60 ----- 5.18, 6.46 A or (resid 34 and name HB) (resid 41 and name HD*) ! 0.1421 39:60 ----- 5.27, 7.47 A or (resid 20 and name HG2) (resid 41 and name HD*) ! 0.1343 39:60 ----- 5.32, 7.56 A or (resid 67 and name HB1) (resid 21 and name HD*) ! 0.1060 39:60 ----- 5.54, 7.84 A or (resid 43 and name HG2) (resid 41 and name HD*) ! 0.0673 39:60 ----- 5.97, 7.40 A or (resid 20 and name HG2) (resid 21 and name HD*) ! 0.0592 39:60 ----- 6.10, 7.18 A assign (resid 33 and name HB*) (resid 41 and name HD*) 3.15 1.35 1.35 ! 0.7797 40:60 Ambig 3.85, 6.23 A or (resid 36 and name HG) (resid 41 and name HD*) ! 0.1223 40:60 ----- 5.24, 6.11 A assign (resid 72 and name HB1) (resid 79 and name HD*) 3.15 1.35 1.35 ! 0.4398 41:60 Ambig 4.62, 5.92 A or (resid 103 and name HB) (resid 79 and name HD*) ! 0.1577 41:60 ----- 5.48, 7.03 A or (resid 71 and name HB) (resid 79 and name HD*) ! 0.1491 41:60 ----- 5.53, 7.03 A or (resid 102 and name HB) (resid 79 and name HD*) ! 0.1171 41:60 ----- 5.76, 7.14 A or (resid 122 and name HB) (resid 79 and name HD*) ! 0.0944 41:60 ----- 5.97, 8.32 A assign (resid 108 and name HB) (resid 79 and name HD*) 3.15 1.35 1.35 ! 0.8009 42:60 Ambig 3.75, 4.72 A or (resid 78 and name HB2) (resid 79 and name HD*) ! 0.1126 42:60 ----- 5.20, 6.56 A assign (resid 72 and name HB2) (resid 79 and name HD*) 3.15 1.35 1.35 ! 0.8983 43:60 Ambig 2.95, 4.60 A or (resid 72 and name HD*) (resid 79 and name HD*) ! 0.0614 43:60 ----- 4.61, 6.08 A assign (resid 111 and name HB2) (resid 115 and name HD*) 3.65 1.85 1.85 ! 0.8034 44:60 Ambig 4.24, 6.71 A or (resid 94 and name HB2) (resid 115 and name HD*) ! 0.1021 44:60 ----- 5.99, 7.72 A assign (resid 114 and name HB1) (resid 115 and name HD*) 3.15 1.35 1.35 ! 0.9864 45:60 Seq 2.98, 4.07 A assign (resid 118 and name HD1*) (resid 115 and name HD*) 2.30 0.50 0.50 ! 0.6649 46:60 Ambig 2.48, 4.42 A or (resid 119 and name HD1*) (resid 115 and name HD*) ! 0.3228 46:60 ----- 2.80, 5.65 A assign (resid 58 and name HB1) (resid 59 and name HD*) 3.15 1.35 1.35 ! 0.9584 47:60 Seq 4.14, 4.96 A assign (resid 60 and name HD2*) (resid 59 and name HD*) 3.15 1.35 1.35 ! 0.9047 48:60 Seq 3.74, 5.72 A assign (resid 65 and name HD*) (resid 21 and name HD*) 2.65 0.85 0.85 ! 0.5496 50:60 Ambig 2.43, 4.84 A or (resid 35 and name HB*) (resid 41 and name HD*) ! 0.3492 50:60 ----- 2.62, 5.43 A or (resid 65 and name HB2) (resid 21 and name HD*) ! 0.0604 50:60 ----- 3.50, 4.73 A assign (resid 35 and name HG*) (resid 41 and name HD*) 2.65 0.85 0.85 ! 0.4742 51:60 Ambig 3.50, 5.22 A or (resid 69 and name HD1*) (resid 21 and name HD*) ! 0.4440 51:60 ----- 3.53, 5.54 A assign (resid 121 and name HG2*) (resid 79 and name HD*) 3.15 1.35 1.35 ! 0.9705 52:60 Long 2.65, 5.54 A assign (resid 94 and name HD1*) (resid 115 and name HD*) 3.15 1.35 1.35 ! 0.4778 53:60 Ambig 3.71, 5.95 A or (resid 52 and name HD1*) (resid 115 and name HD*) ! 0.3033 53:60 ----- 4.00, 5.33 A or (resid 52 and name HD2*) (resid 115 and name HD*) ! 0.1908 53:60 ----- 4.32, 6.16 A assign (resid 60 and name HD1*) (resid 59 and name HD*) 3.65 1.85 1.85 ! 0.0000 54:60 Seq 4.22, 6.91 A assign (resid 58 and name HD1*) (resid 59 and name HD*) 3.65 1.85 1.85 ! 0.9755 55:60 Seq 4.08, 6.54 A assign (resid 36 and name HD2*) (resid 41 and name HD*) 4.15 2.35 2.35 ! 0.4460 56:60 Ambig 6.40, 8.21 A or (resid 36 and name HD2*) (resid 21 and name HD*) ! 0.3620 56:60 ----- 6.63, 9.40 A or (resid 66 and name HD1*) (resid 21 and name HD*) ! 0.1920 56:60 ----- 7.37, 9.46 A assign (resid 108 and name HG1*) (resid 79 and name HD*) 3.65 1.85 1.85 ! 0.9783 57:60 Long 3.32, 5.12 A assign (resid 108 and name HG2*) (resid 79 and name HD*) 3.65 1.85 1.85 ! 0.0000 58:60 Long 2.54, 4.01 A assign (resid 63 and name HD1*) (resid 59 and name HD*) 3.65 1.85 1.85 ! 0.0000 59:60 Mid 5.34, 6.50 A assign (resid 40 and name HD*) (resid 40 and name HE*) 2.30 0.50 0.50 ! 0.8555 60:60 Ambig 2.45, 3.68 A or (resid 38 and name HD21) (resid 40 and name HE*) ! 0.1445 60:60 ----- 3.29, 5.83 A assign (resid 14 and name HA) (resid 14 and name HD*) 3.15 1.35 1.35 ! 0.9933 63:60 Intra 2.77, 3.47 A assign (resid 80 and name HA) (resid 80 and name HD*) 3.65 1.85 1.85 ! 0.9317 64:60 Intra 2.88, 3.59 A assign (resid 10 and name HA) (resid 14 and name HD*) 3.65 1.85 1.85 ! 0.8630 65:60 Ambig 2.68, 5.71 A or (resid 11 and name HA) (resid 14 and name HD*) ! 0.1370 65:60 ----- 3.64, 5.42 A assign (resid 15 and name HB*) (resid 14 and name HD*) 4.15 2.35 2.35 ! 0.0000 66:60 Seq 6.88, 8.20 A assign (resid 122 and name HA) (resid 14 and name HE*) 3.65 1.85 1.85 ! 0.5878 67:60 Ambig 5.77, 6.71 A or (resid 123 and name HA) (resid 80 and name HD*) ! 0.2241 67:60 ----- 6.78, 9.55 A or (resid 123 and name HA) (resid 14 and name HE*) ! 0.1408 67:60 ----- 7.32, 8.42 A assign (resid 10 and name HA) (resid 14 and name HE*) 4.15 2.35 2.35 ! 0.9357 68:60 Mid 3.71, 6.36 A assign (resid 68 and name HA) (resid 68 and name HD*) 2.65 0.85 0.85 ! 0.7575 69:60 Ambig 2.73, 3.58 A or (resid 87 and name HA) (resid 68 and name HD*) ! 0.1867 69:60 ----- 3.45, 5.58 A assign (resid 40 and name HB1) (resid 40 and name HE*) 4.15 2.35 2.35 ! 0.0000 71:60 Intra 4.59, 5.04 A assign (resid 40 and name HB2) (resid 40 and name HE*) 3.65 1.85 1.85 ! 0.6125 72:60 Ambig 4.60, 5.04 A or (resid 38 and name HB1) (resid 40 and name HE*) ! 0.3875 72:60 ----- 4.97, 7.23 A assign (resid 40 and name HB1) (resid 40 and name HD*) 3.15 1.35 1.35 ! 0.0000 73:60 Intra 2.28, 3.03 A assign (resid 40 and name HB2) (resid 40 and name HD*) 3.15 1.35 1.35 ! 0.9625 74:60 Intra 2.30, 3.05 A assign (resid 17 and name HB*) (resid 14 and name HD*) 3.65 1.85 1.85 ! 0.9492 75:60 Mid 2.76, 4.83 A assign (resid 14 and name HB2) (resid 14 and name HD*) 3.15 1.35 1.35 ! 0.9951 76:60 Intra 2.39, 3.05 A assign (resid 73 and name HB*) (resid 80 and name HD*) 3.65 1.85 1.85 ! 0.0000 77:60 Long 3.18, 6.12 A assign (resid 80 and name HB1) (resid 80 and name HD*) 3.15 1.35 1.35 ! 0.9959 78:60 Intra 2.33, 3.04 A assign (resid 72 and name HA) (resid 80 and name HD*) 4.15 2.35 2.35 ! 0.5387 79:60 Ambig 3.78, 6.04 A or (resid 17 and name HB*) (resid 14 and name HE*) ! 0.2472 79:60 ----- 4.30, 6.37 A or (resid 82 and name HB1) (resid 14 and name HE*) ! 0.0893 79:60 ----- 5.10, 7.48 A or (resid 82 and name HB2) (resid 14 and name HE*) ! 0.0723 79:60 ----- 5.28, 7.80 A assign (resid 80 and name HB2) (resid 80 and name HE*) 3.65 1.85 1.85 ! 0.0000 81:60 Intra 4.67, 5.07 A assign (resid 14 and name HB1) (resid 14 and name HD*) 2.65 0.85 0.85 ! 0.9867 82:60 Intra 2.29, 3.03 A assign (resid 80 and name HB2) (resid 80 and name HD*) 2.65 0.85 0.85 ! 0.9782 83:60 Intra 2.41, 3.07 A assign (resid 68 and name HB1) (resid 68 and name HD*) 2.65 0.85 0.85 ! 0.9052 84:60 Intra 2.51, 3.06 A assign (resid 13 and name HB) (resid 14 and name HD*) 3.15 1.35 1.35 ! 0.8477 85:60 Ambig 2.28, 4.30 A or (resid 10 and name HG) (resid 14 and name HD*) ! 0.1409 85:60 ----- 3.07, 6.86 A assign (resid 71 and name HB) (resid 80 and name HD*) 3.15 1.35 1.35 ! 0.0000 86:60 Long 2.16, 3.81 A assign (resid 10 and name HB1) (resid 14 and name HE*) 3.15 1.35 1.35 ! 0.3920 87:60 Ambig 2.36, 4.81 A or (resid 10 and name HB2) (resid 14 and name HE*) ! 0.3189 87:60 ----- 2.44, 5.62 A or (resid 10 and name HG) (resid 14 and name HE*) ! 0.2548 87:60 ----- 2.54, 6.61 A assign (resid 118 and name HB1) (resid 68 and name HD*) 3.65 1.85 1.85 ! 0.9388 88:60 Long 2.83, 4.79 A assign (resid 122 and name HG11) (resid 14 and name HD*) 3.65 1.85 1.85 ! 0.0000 89:60 Long 2.67, 4.89 A assign (resid 69 and name HG12) (resid 14 and name HD*) 3.65 1.85 1.85 ! 0.0000 90:60 Long 4.29, 6.95 A assign (resid 122 and name HG2*) (resid 14 and name HD*) 2.65 0.85 0.85 ! 0.7890 91:60 Ambig 2.93, 4.96 A or (resid 122 and name HD1*) (resid 14 and name HD*) ! 0.2110 91:60 ----- 3.65, 5.75 A assign (resid 13 and name HG12) (resid 14 and name HD*) 3.65 1.85 1.85 ! 0.0000 92:60 Seq 4.34, 6.89 A assign (resid 119 and name HG11) (resid 68 and name HD*) 3.65 1.85 1.85 ! 0.7364 93:60 Ambig 3.02, 5.08 A or (resid 91 and name HG12) (resid 68 and name HD*) ! 0.1585 93:60 ----- 3.90, 5.39 A or (resid 13 and name HG11) (resid 14 and name HD*) ! 0.0861 93:60 ----- 4.31, 6.60 A assign (resid 13 and name HG11) (resid 14 and name HE*) 3.65 1.85 1.85 ! 0.3834 95:60 Ambig 4.36, 7.19 A or (resid 71 and name HG12) (resid 14 and name HE*) ! 0.3159 95:60 ----- 4.51, 6.32 A or (resid 71 and name HG12) (resid 80 and name HD*) ! 0.3007 95:60 ----- 4.54, 5.59 A assign (resid 79 and name HA) (resid 80 and name HD*) 3.65 1.85 1.85 ! 0.7997 96:60 Ambig 3.25, 4.95 A or (resid 71 and name HA) (resid 80 and name HD*) ! 0.1065 96:60 ----- 4.55, 6.42 A assign (resid 105 and name HA) (resid 79 and name HD*) 3.65 1.85 1.85 ! 0.9990 97:60 Long 2.45, 4.27 A assign (resid 118 and name HA) (resid 120 and name HD*) 4.15 2.35 2.35 ! 0.6507 98:60 Ambig 4.67, 6.96 A or (resid 122 and name HA) (resid 120 and name HD*) ! 0.2446 98:60 ----- 5.50, 7.41 A or (resid 103 and name HA) (resid 70 and name HD*) ! 0.0513 98:60 ----- 7.13, 9.00 A assign (resid 121 and name HD1*) (resid 79 and name HD*) 3.15 1.35 1.35 ! 0.8238 99:60 Ambig 4.01, 6.09 A or (resid 112 and name HD1*) (resid 79 and name HD*) ! 0.0468 99:60 ----- 6.46, 8.18 A or (resid 112 and name HD2*) (resid 79 and name HD*) ! 0.0456 99:60 ----- 6.49, 8.81 A assign (resid 103 and name HG11) (resid 79 and name HD*) 3.65 1.85 1.85 ! 0.9831 100:60 Long 3.65, 4.90 A assign (resid 68 and name HE*) (resid 68 and name HD*) 2.30 0.50 0.50 ! 0.9469 101:60 Intra 2.45, 3.69 A assign (resid 73 and name HB*) (resid 80 and name HZ) 4.15 2.35 2.35 ! 0.0000 104:60 Long 3.78, 5.03 A assign (resid 80 and name HB1) (resid 80 and name HZ) 4.15 2.35 2.35 ! 0.0000 105:60 Intra 5.77, 5.80 A assign (resid 80 and name HB2) (resid 80 and name HZ) 4.15 2.35 2.35 ! 0.0000 107:60 Intra 5.77, 5.82 A assign (resid 76 and name HD1*) (resid 80 and name HZ) 3.15 1.35 1.35 ! 0.5795 110:60 Ambig 5.76, 8.24 A or (resid 102 and name HG2*) (resid 80 and name HZ) ! 0.4205 110:60 ----- 6.07, 7.01 A assign (resid 119 and name HG2*) (resid 68 and name HD*) 3.15 1.35 1.35 ! 0.3614 112:60 Ambig 4.69, 6.70 A or (resid 52 and name HD2*) (resid 68 and name HD*) ! 0.2854 112:60 ----- 4.88, 6.64 A or (resid 52 and name HD1*) (resid 68 and name HD*) ! 0.1901 112:60 ----- 5.22, 6.97 A or (resid 94 and name HD1*) (resid 68 and name HD*) ! 0.0788 112:60 ----- 6.05, 6.65 A assign (resid 91 and name HD1*) (resid 68 and name HD*) 3.65 1.85 1.85 ! 0.7754 113:60 Ambig 3.02, 4.81 A or (resid 66 and name HG2*) (resid 68 and name HD*) ! 0.2246 113:60 ----- 3.71, 5.10 A assign (resid 120 and name HN) (resid 120 and name HD*) 4.15 2.35 2.35 ! 0.8298 114:60 Ambig 2.84, 4.20 A or (resid 68 and name HN) (resid 120 and name HD*) ! 0.0822 114:60 ----- 4.18, 6.35 A assign (resid 68 and name HD*) (resid 68 and name HE*) 2.65 0.85 0.85 ! 0.0000 115:60 Intra 2.45, 3.69 A assign (resid 70 and name HZ) (resid 70 and name HE*) 2.65 0.85 0.85 ! 0.5087 116:60 Ambig 2.44, 2.45 A or (resid 68 and name HZ) (resid 68 and name HE*) ! 0.4788 116:60 ----- 2.46, 2.46 A assign (resid 120 and name HD*) (resid 120 and name HE*) 3.15 1.35 1.35 ! 0.0000 117:60 Intra 2.45, 3.68 A assign (resid 120 and name HE*) (resid 120 and name HD*) 3.15 1.35 1.35 ! 0.9903 118:60 Intra 2.45, 3.68 A assign (resid 70 and name HA) (resid 70 and name HD*) 3.65 1.85 1.85 ! 0.0000 119:60 Intra 2.55, 3.48 A assign (resid 70 and name HA) (resid 70 and name HE*) 3.65 1.85 1.85 ! 0.0000 120:60 Intra 4.69, 5.31 A assign (resid 120 and name HZ) (resid 120 and name HE*) 3.65 1.85 1.85 ! 0.0000 121:60 Intra 2.42, 2.45 A assign (resid 69 and name HA) (resid 70 and name HE*) 4.15 2.35 2.35 ! 0.8635 123:60 Ambig 5.15, 6.24 A or (resid 79 and name HA) (resid 70 and name HE*) ! 0.1042 123:60 ----- 7.33, 8.39 A assign (resid 81 and name HA) (resid 70 and name HD*) 3.65 1.85 1.85 ! 0.9994 124:60 Long 2.03, 3.95 A assign (resid 81 and name HA) (resid 70 and name HE*) 3.65 1.85 1.85 ! 0.9547 125:60 Long 2.81, 4.62 A assign (resid 87 and name HA) (resid 68 and name HE*) 3.15 1.35 1.35 ! 0.9590 126:60 Long 2.46, 4.82 A assign (resid 42 and name HB*) (resid 120 and name HE*) 4.15 2.35 2.35 ! 0.9807 129:60 Long 3.60, 4.38 A assign (resid 120 and name HB1) (resid 120 and name HD*) 3.65 1.85 1.85 ! 0.9993 130:60 Intra 2.25, 3.01 A assign (resid 120 and name HB2) (resid 120 and name HD*) 3.15 1.35 1.35 ! 0.8438 131:60 Ambig 2.31, 3.04 A or (resid 68 and name HB1) (resid 70 and name HE*) ! 0.1491 131:60 ----- 3.09, 3.89 A assign (resid 70 and name HB2) (resid 70 and name HE*) 3.15 1.35 1.35 ! 0.3623 132:60 Ambig 4.57, 5.02 A or (resid 70 and name HB1) (resid 70 and name HE*) ! 0.3041 132:60 ----- 4.71, 5.04 A or (resid 108 and name HA) (resid 70 and name HE*) ! 0.2803 132:60 ----- 4.77, 5.44 A assign (resid 87 and name HB2) (resid 68 and name HE*) 3.65 1.85 1.85 ! 0.5668 133:60 Ambig 4.50, 6.87 A or (resid 68 and name HB1) (resid 68 and name HE*) ! 0.4332 133:60 ----- 4.70, 5.04 A assign (resid 68 and name HB1) (resid 70 and name HD*) 3.65 1.85 1.85 ! 0.8144 134:60 Ambig 4.30, 4.92 A or (resid 120 and name HB2) (resid 70 and name HD*) ! 0.1605 134:60 ----- 5.64, 7.37 A assign (resid 119 and name HG12) (resid 70 and name HD*) 3.15 1.35 1.35 ! 0.6102 135:60 Ambig 3.94, 5.63 A or (resid 119 and name HB) (resid 70 and name HD*) ! 0.1996 135:60 ----- 4.75, 6.85 A or (resid 112 and name HG) (resid 70 and name HD*) ! 0.0905 135:60 ----- 5.41, 7.09 A assign (resid 81 and name HB) (resid 70 and name HD*) 3.65 1.85 1.85 ! 0.4804 136:60 Ambig 4.61, 6.63 A or (resid 111 and name HB1) (resid 70 and name HD*) ! 0.1299 136:60 ----- 5.73, 6.96 A or (resid 103 and name HB) (resid 70 and name HD*) ! 0.0791 136:60 ----- 6.22, 7.71 A or (resid 71 and name HB) (resid 70 and name HD*) ! 0.0778 136:60 ----- 6.24, 7.51 A or (resid 69 and name HB) (resid 70 and name HD*) ! 0.0696 136:60 ----- 6.35, 6.72 A or (resid 91 and name HB) (resid 70 and name HD*) ! 0.0496 136:60 ----- 6.72, 8.12 A or (resid 102 and name HB) (resid 70 and name HD*) ! 0.0428 136:60 ----- 6.89, 9.16 A assign (resid 121 and name HG11) (resid 70 and name HD*) 4.15 2.35 2.35 ! 0.9040 137:60 Long 3.53, 5.40 A assign (resid 52 and name HB2) (resid 68 and name HE*) 3.65 1.85 1.85 ! 0.3602 138:60 Ambig 4.56, 6.37 A or (resid 66 and name HB) (resid 68 and name HE*) ! 0.3431 138:60 ----- 4.60, 5.65 A or (resid 121 and name HG11) (resid 70 and name HE*) ! 0.1456 138:60 ----- 5.30, 6.86 A or (resid 94 and name HG) (resid 68 and name HE*) ! 0.0764 138:60 ----- 5.91, 6.57 A assign (resid 111 and name HB1) (resid 70 and name HE*) 3.15 1.35 1.35 ! 0.4369 139:60 Ambig 3.77, 5.28 A or (resid 81 and name HB) (resid 70 and name HE*) ! 0.1802 139:60 ----- 4.37, 6.47 A or (resid 91 and name HB) (resid 70 and name HE*) ! 0.1409 139:60 ----- 4.55, 6.27 A or (resid 103 and name HB) (resid 70 and name HE*) ! 0.0353 139:60 ----- 5.73, 7.29 A or (resid 111 and name HB1) (resid 68 and name HE*) ! 0.0350 139:60 ----- 5.74, 7.15 A or (resid 111 and name HG) (resid 70 and name HE*) ! 0.0329 139:60 ----- 5.80, 6.30 A or (resid 91 and name HB) (resid 68 and name HE*) ! 0.0233 139:60 ----- 6.14, 7.49 A or (resid 67 and name HB1) (resid 68 and name HE*) ! 0.0165 139:60 ----- 6.51, 7.62 A assign (resid 90 and name HB*) (resid 68 and name HE*) 3.15 1.35 1.35 ! 0.8312 140:60 Ambig 2.44, 4.65 A or (resid 118 and name HB2) (resid 68 and name HE*) ! 0.1524 140:60 ----- 3.23, 5.41 A assign (resid 67 and name HB2) (resid 120 and name HE*) 4.15 2.35 2.35 ! 0.8659 141:60 Ambig 3.06, 4.97 A or (resid 18 and name HB1) (resid 120 and name HE*) ! 0.1239 141:60 ----- 4.23, 5.69 A assign (resid 67 and name HG1) (resid 120 and name HE*) 4.15 2.35 2.35 ! 0.9868 142:60 Long 2.96, 5.10 A assign (resid 119 and name HG11) (resid 70 and name HE*) 3.15 1.35 1.35 ! 0.4275 143:60 Ambig 3.87, 5.99 A or (resid 64 and name HG2*) (resid 68 and name HE*) ! 0.3277 143:60 ----- 4.04, 6.35 A or (resid 119 and name HG11) (resid 68 and name HE*) ! 0.1577 143:60 ----- 4.56, 6.29 A assign (resid 81 and name HG2*) (resid 70 and name HE*) 2.30 0.50 0.50 ! 0.4653 144:60 Ambig 2.00, 5.17 A or (resid 119 and name HD1*) (resid 70 and name HE*) ! 0.2886 144:60 ----- 2.17, 5.00 A or (resid 64 and name HG1*) (resid 68 and name HE*) ! 0.1408 144:60 ----- 2.44, 4.22 A or (resid 118 and name HD1*) (resid 68 and name HE*) ! 0.0557 144:60 ----- 2.85, 5.64 A assign (resid 91 and name HG11) (resid 70 and name HE*) 3.65 1.85 1.85 ! 0.9378 145:60 Long 2.45, 4.11 A assign (resid 36 and name HD1*) (resid 120 and name HE*) 4.15 2.35 2.35 ! 0.7849 146:60 Ambig 3.39, 5.67 A or (resid 44 and name HG1*) (resid 120 and name HE*) ! 0.2151 146:60 ----- 4.21, 6.80 A assign (resid 122 and name HD1*) (resid 120 and name HE*) 3.65 1.85 1.85 ! 0.3761 147:60 Ambig 5.25, 7.47 A or (resid 69 and name HD1*) (resid 120 and name HE*) ! 0.2549 147:60 ----- 5.60, 7.64 A or (resid 34 and name HG2*) (resid 120 and name HE*) ! 0.2339 147:60 ----- 5.68, 8.39 A or (resid 118 and name HD2*) (resid 120 and name HE*) ! 0.1351 147:60 ----- 6.22, 9.38 A assign (resid 81 and name HG2*) (resid 70 and name HD*) 2.65 0.85 0.85 ! 0.8593 148:60 Ambig 2.38, 5.51 A or (resid 119 and name HD1*) (resid 70 and name HD*) ! 0.0783 148:60 ----- 3.55, 6.23 A assign (resid 108 and name HG2*) (resid 70 and name HD*) 3.65 1.85 1.85 ! 0.0000 149:60 Long 3.95, 5.13 A assign (resid 91 and name HD1*) (resid 70 and name HD*) 3.65 1.85 1.85 ! 0.0000 150:60 Long 5.77, 6.76 A assign (resid 108 and name HG2*) (resid 70 and name HE*) 3.65 1.85 1.85 ! 0.0000 151:60 Long 4.29, 5.69 A assign (resid 119 and name HG2*) (resid 70 and name HE*) 2.65 0.85 0.85 ! 0.6487 152:60 Ambig 2.21, 5.00 A or (resid 52 and name HD2*) (resid 68 and name HE*) ! 0.1873 152:60 ----- 2.72, 4.73 A or (resid 52 and name HD1*) (resid 68 and name HE*) ! 0.1165 152:60 ----- 2.94, 4.89 A assign (resid 66 and name HG2*) (resid 68 and name HE*) 3.15 1.35 1.35 ! 0.4778 153:60 Ambig 3.12, 4.30 A or (resid 91 and name HD1*) (resid 70 and name HE*) ! 0.2931 153:60 ----- 3.38, 4.55 A or (resid 91 and name HD1*) (resid 68 and name HE*) ! 0.2266 153:60 ----- 3.53, 4.79 A assign (resid 36 and name HD2*) (resid 120 and name HE*) 4.15 2.35 2.35 ! 0.9985 154:60 Long 2.45, 4.23 A assign (resid 119 and name HG2*) (resid 70 and name HD*) 3.65 1.85 1.85 ! 0.9602 155:60 Long 1.93, 4.65 A assign (resid 86 and name HA) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.8552 156:60 Ambig 4.59, 4.65 A or (resid 87 and name HA) (resid 86 and name HD1) ! 0.1168 156:60 ----- 6.40, 6.55 A assign (resid 64 and name HA) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.8552 157:60 Ambig 4.06, 4.37 A or (resid 60 and name HA) (resid 86 and name HD1) ! 0.0684 157:60 ----- 6.18, 6.55 A assign (resid 63 and name HA) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.7769 158:60 Ambig 3.67, 4.06 A or (resid 84 and name HA) (resid 86 and name HD1) ! 0.2103 158:60 ----- 4.56, 5.30 A assign (resid 86 and name HB2) (resid 86 and name HD1) 2.65 0.85 0.85 ! 0.8937 159:60 Ambig 2.50, 2.52 A or (resid 86 and name HB1) (resid 86 and name HD1) ! 0.1051 159:60 ----- 3.56, 3.60 A assign (resid 84 and name HB*) (resid 86 and name HD1) 3.15 1.35 1.35 ! 0.0000 160:60 Mid 2.18, 2.93 A assign (resid 84 and name HG*) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.9986 161:60 Mid 2.88, 4.45 A assign (resid 85 and name HB1) (resid 86 and name HD1) 4.15 2.35 2.35 ! 0.4992 162:60 Ambig 5.86, 6.25 A or (resid 64 and name HB) (resid 86 and name HD1) ! 0.2113 162:60 ----- 6.76, 7.03 A or (resid 89 and name HD*) (resid 86 and name HD1) ! 0.2094 162:60 ----- 6.78, 8.14 A assign (resid 85 and name HG1) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.9064 163:60 Seq 4.09, 4.50 A assign (resid 85 and name HG2) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.9286 164:60 Seq 3.55, 4.04 A assign (resid 63 and name HB1) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.9786 165:60 Long 2.67, 3.03 A assign (resid 60 and name HD2*) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.6487 166:60 Ambig 5.68, 6.91 A or (resid 64 and name HG1*) (resid 86 and name HD1) ! 0.3513 166:60 ----- 6.29, 7.34 A assign (resid 63 and name HD2*) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.0000 167:60 Long 3.68, 4.86 A assign (resid 63 and name HD1*) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.0000 168:60 Long 4.43, 5.62 A assign (resid 91 and name HD1*) (resid 70 and name HZ) 3.65 1.85 1.85 ! 0.9993 170:60 Long 2.26, 2.90 A assign (resid 120 and name HD*) (resid 120 and name HZ) 4.15 2.35 2.35 ! 0.0000 171:60 Intra 4.24, 4.25 A assign (resid 120 and name HE*) (resid 120 and name HZ) 2.65 0.85 0.85 ! 0.8466 172:60 Ambig 2.42, 2.45 A or (resid 42 and name HD2) (resid 120 and name HZ) ! 0.1514 172:60 ----- 3.23, 3.61 A assign (resid 42 and name HB*) (resid 120 and name HZ) 3.65 1.85 1.85 ! 0.9989 173:60 Long 2.36, 2.70 A assign (resid 36 and name HD1*) (resid 120 and name HZ) 3.65 1.85 1.85 ! 0.9454 174:60 Long 3.58, 4.81 A assign (resid 34 and name HD1*) (resid 120 and name HZ) 3.65 1.85 1.85 ! 0.9709 175:60 Long 2.50, 3.75 A assign (resid 67 and name HG2) (resid 120 and name HZ) 4.15 2.35 2.35 ! 0.6819 176:60 Ambig 3.88, 4.10 A or (resid 34 and name HG12) (resid 120 and name HZ) ! 0.2257 176:60 ----- 4.66, 5.15 A assign (resid 36 and name HD2*) (resid 120 and name HZ) 3.15 1.35 1.35 ! 0.9997 177:60 Long 2.22, 3.35 A assign (resid 68 and name HD*) (resid 68 and name HZ) 3.65 1.85 1.85 ! 0.9896 178:60 Intra 4.26, 4.26 A assign (resid 68 and name HE*) (resid 68 and name HZ) 2.65 0.85 0.85 ! 0.9983 179:60 Intra 2.46, 2.46 A assign (resid 87 and name HA) (resid 68 and name HZ) 4.15 2.35 2.35 ! 0.8009 181:60 Ambig 4.58, 4.93 A or (resid 68 and name HA) (resid 68 and name HZ) ! 0.1368 181:60 ----- 6.15, 6.18 A assign (resid 68 and name HB1) (resid 70 and name HZ) 3.65 1.85 1.85 ! 0.9861 182:60 Mid 3.16, 3.31 A assign (resid 111 and name HB1) (resid 70 and name HZ) 3.65 1.85 1.85 ! 0.3643 183:60 Ambig 4.29, 4.42 A or (resid 118 and name HB1) (resid 68 and name HZ) ! 0.1362 183:60 ----- 5.06, 5.26 A or (resid 91 and name HB) (resid 70 and name HZ) ! 0.1152 183:60 ----- 5.20, 5.39 A or (resid 111 and name HG) (resid 70 and name HZ) ! 0.1049 183:60 ----- 5.28, 5.37 A or (resid 56 and name HB) (resid 68 and name HZ) ! 0.0853 183:60 ----- 5.47, 5.75 A or (resid 81 and name HB) (resid 70 and name HZ) ! 0.0294 183:60 ----- 6.53, 6.70 A or (resid 94 and name HB1) (resid 68 and name HZ) ! 0.0258 183:60 ----- 6.68, 6.98 A or (resid 103 and name HB) (resid 70 and name HZ) ! 0.0186 183:60 ----- 7.05, 7.20 A or (resid 91 and name HB) (resid 68 and name HZ) ! 0.0174 183:60 ----- 7.13, 7.52 A or (resid 111 and name HB1) (resid 68 and name HZ) ! 0.0171 183:60 ----- 7.15, 7.46 A assign (resid 90 and name HB*) (resid 68 and name HZ) 3.15 1.35 1.35 ! 0.9625 184:60 Long 3.14, 3.83 A assign (resid 91 and name HG12) (resid 70 and name HZ) 3.65 1.85 1.85 ! 0.5290 185:60 Ambig 4.08, 4.28 A or (resid 64 and name HG2*) (resid 68 and name HZ) ! 0.2841 185:60 ----- 4.52, 5.59 A or (resid 91 and name HG12) (resid 68 and name HZ) ! 0.1654 185:60 ----- 4.95, 5.39 A assign (resid 52 and name HG) (resid 68 and name HZ) 3.65 1.85 1.85 ! 0.8338 186:60 Ambig 4.24, 4.50 A or (resid 91 and name HG11) (resid 68 and name HZ) ! 0.0934 186:60 ----- 6.10, 6.51 A assign (resid 64 and name HG1*) (resid 68 and name HZ) 2.65 0.85 0.85 ! 0.8238 187:60 Ambig 2.76, 3.65 A or (resid 56 and name HD1*) (resid 68 and name HZ) ! 0.0928 187:60 ----- 3.98, 5.04 A assign (resid 24 and name HD1*) (resid 68 and name HZ) 3.15 1.35 1.35 ! 0.9952 188:60 Long 3.73, 4.91 A assign (resid 103 and name HD1*) (resid 70 and name HZ) 3.65 1.85 1.85 ! 0.0000 189:60 Long 3.60, 4.33 A assign (resid 52 and name HD1*) (resid 68 and name HZ) 3.15 1.35 1.35 ! 0.5171 190:60 Ambig 2.41, 3.55 A or (resid 52 and name HD2*) (resid 68 and name HZ) ! 0.3703 190:60 ----- 2.55, 3.60 A or (resid 94 and name HD1*) (resid 68 and name HZ) ! 0.1087 190:60 ----- 3.13, 4.11 A assign (resid 70 and name HD*) (resid 70 and name HA) 3.65 1.85 1.85 ! 0.9995 191:60 Intra 2.55, 3.48 A assign (resid 86 and name HZ2) (resid 86 and name HH2) 2.65 0.85 0.85 ! 0.0000 192:60 Intra 2.45, 2.46 A assign (resid 61 and name HZ2) (resid 61 and name HH2) 2.65 0.85 0.85 ! 0.0000 193:60 Intra 2.44, 2.45 A assign (resid 89 and name HD*) (resid 86 and name HH2) 4.15 2.35 2.35 ! 0.8051 194:60 Ambig 5.50, 6.17 A or (resid 85 and name HB1) (resid 86 and name HH2) ! 0.1949 194:60 ----- 6.96, 7.30 A assign (resid 60 and name HD2*) (resid 86 and name HH2) 3.65 1.85 1.85 ! 0.0000 195:60 Long 5.40, 5.85 A assign (resid 58 and name HD1*) (resid 61 and name HH2) 4.15 2.35 2.35 ! 0.0000 196:60 Mid 4.11, 6.95 A assign (resid 58 and name HD2*) (resid 61 and name HH2) 3.65 1.85 1.85 ! 0.6188 197:60 Ambig 3.62, 4.53 A or (resid 28 and name HD1*) (resid 61 and name HH2) ! 0.3812 197:60 ----- 3.92, 4.79 A assign (resid 63 and name HD1*) (resid 86 and name HH2) 3.65 1.85 1.85 ! 0.0000 198:60 Long 3.84, 4.64 A assign (resid 86 and name HE3) (resid 86 and name HZ3) 2.65 0.85 0.85 ! 0.9968 200:60 Intra 2.44, 2.45 A assign (resid 61 and name HZ3) (resid 61 and name HE3) 2.65 0.85 0.85 ! 0.9988 201:60 Intra 2.45, 2.46 A assign (resid 86 and name HA) (resid 86 and name HZ3) 3.65 1.85 1.85 ! 0.9868 202:60 Intra 4.47, 4.58 A assign (resid 89 and name HE*) (resid 86 and name HZ3) 4.15 2.35 2.35 ! 0.9971 203:60 Mid 2.14, 3.27 A assign (resid 89 and name HD*) (resid 86 and name HZ3) 3.65 1.85 1.85 ! 0.9891 204:60 Mid 3.09, 3.79 A assign (resid 60 and name HG) (resid 86 and name HZ3) 4.15 2.35 2.35 ! 0.4825 205:60 Ambig 5.68, 6.04 A or (resid 63 and name HB2) (resid 86 and name HZ3) ! 0.4556 205:60 ----- 5.73, 5.97 A assign (resid 60 and name HD2*) (resid 86 and name HZ3) 3.65 1.85 1.85 ! 0.9914 206:60 Long 3.22, 3.97 A assign (resid 61 and name HZ2) (resid 61 and name HE3) 3.65 1.85 1.85 ! 0.8106 207:60 Ambig 4.97, 4.98 A or (resid 24 and name HN) (resid 61 and name HE3) ! 0.1558 207:60 ----- 6.55, 6.82 A assign (resid 61 and name HZ2) (resid 61 and name HD1) 4.15 2.35 2.35 ! 0.3730 208:60 Ambig 5.01, 5.03 A or (resid 56 and name HN) (resid 61 and name HD1) ! 0.2608 208:60 ----- 5.32, 5.50 A or (resid 64 and name HN) (resid 61 and name HD1) ! 0.1877 208:60 ----- 5.62, 5.77 A or (resid 24 and name HN) (resid 61 and name HD1) ! 0.1206 208:60 ----- 6.05, 6.29 A assign (resid 60 and name HN) (resid 61 and name HD1) 3.65 1.85 1.85 ! 0.9374 209:60 Seq 3.33, 3.50 A assign (resid 61 and name HA) (resid 61 and name HD1) 3.15 1.35 1.35 ! 0.9994 210:60 Intra 2.49, 2.67 A assign (resid 60 and name HA) (resid 61 and name HD1) 4.15 2.35 2.35 ! 0.7312 211:60 Ambig 4.81, 4.93 A or (resid 57 and name HD1) (resid 61 and name HD1) ! 0.1122 211:60 ----- 6.57, 6.63 A or (resid 62 and name HB1) (resid 61 and name HD1) ! 0.0674 211:60 ----- 7.15, 7.66 A assign (resid 53 and name HA) (resid 61 and name HD1) 3.65 1.85 1.85 ! 0.9136 212:60 Long 3.78, 4.18 A assign (resid 25 and name HE*) (resid 61 and name HE3) 3.65 1.85 1.85 ! 0.5891 213:60 Ambig 2.74, 5.19 A or (resid 61 and name HB2) (resid 61 and name HE3) ! 0.3818 213:60 ----- 2.94, 3.13 A assign (resid 61 and name HB2) (resid 61 and name HD1) 3.65 1.85 1.85 ! 0.7887 214:60 Ambig 3.37, 3.49 A or (resid 53 and name HB1) (resid 61 and name HD1) ! 0.1511 214:60 ----- 4.44, 5.02 A assign (resid 25 and name HD*) (resid 61 and name HE3) 4.15 2.35 2.35 ! 0.9813 215:60 Long 2.27, 4.96 A assign (resid 58 and name HA) (resid 61 and name HD1) 3.15 1.35 1.35 ! 0.9960 216:60 Mid 3.08, 3.27 A assign (resid 24 and name HB) (resid 61 and name HD1) 3.65 1.85 1.85 ! 0.9597 217:60 Long 3.93, 4.26 A assign (resid 56 and name HG12) (resid 61 and name HD1) 3.15 1.35 1.35 ! 0.8566 218:60 Ambig 3.10, 3.32 A or (resid 60 and name HB1) (resid 61 and name HD1) ! 0.0954 218:60 ----- 4.47, 4.62 A assign (resid 56 and name HD1*) (resid 61 and name HD1) 3.15 1.35 1.35 ! 0.7927 219:60 Ambig 3.48, 4.54 A or (resid 60 and name HG) (resid 61 and name HD1) ! 0.0998 219:60 ----- 4.91, 5.06 A or (resid 24 and name HG12) (resid 61 and name HD1) ! 0.0523 219:60 ----- 5.47, 5.98 A assign (resid 56 and name HG11) (resid 61 and name HD1) 3.65 1.85 1.85 ! 0.9022 220:60 Long 4.82, 5.04 A assign (resid 56 and name HG2*) (resid 61 and name HD1) 3.15 1.35 1.35 ! 0.9924 221:60 Long 2.39, 3.52 A assign (resid 24 and name HD1*) (resid 61 and name HD1) 3.15 1.35 1.35 ! 0.9841 222:60 Long 3.00, 4.08 A assign (resid 58 and name HD1*) (resid 61 and name HE3) 4.15 2.35 2.35 ! 0.0000 223:60 Mid 3.01, 5.52 A assign (resid 28 and name HD1*) (resid 61 and name HE3) 3.65 1.85 1.85 ! 0.7209 224:60 Ambig 2.80, 3.53 A or (resid 58 and name HD2*) (resid 61 and name HE3) ! 0.2791 224:60 ----- 3.28, 4.35 A assign (resid 24 and name HG2*) (resid 61 and name HD1) 3.65 1.85 1.85 ! 0.9666 225:60 Long 3.35, 4.94 A assign (resid 86 and name HZ3) (resid 86 and name HE3) 3.15 1.35 1.35 ! 0.9593 226:60 Intra 2.44, 2.45 A assign (resid 86 and name HA) (resid 86 and name HE3) 3.15 1.35 1.35 ! 0.9989 227:60 Intra 2.18, 2.31 A assign (resid 86 and name HB1) (resid 86 and name HE3) 3.15 1.35 1.35 ! 0.9987 228:60 Intra 2.90, 2.96 A assign (resid 89 and name HD*) (resid 86 and name HE3) 3.65 1.85 1.85 ! 0.9973 229:60 Mid 2.05, 3.21 A assign (resid 89 and name HB1) (resid 86 and name HE3) 3.65 1.85 1.85 ! 0.6013 230:60 Ambig 3.32, 3.49 A or (resid 89 and name HB2) (resid 86 and name HE3) ! 0.3944 230:60 ----- 3.56, 4.01 A assign (resid 85 and name HG1) (resid 86 and name HE3) 3.65 1.85 1.85 ! 0.7709 231:60 Ambig 3.54, 3.73 A or (resid 89 and name HG1) (resid 86 and name HE3) ! 0.1000 231:60 ----- 4.97, 5.17 A or (resid 85 and name HB2) (resid 86 and name HE3) ! 0.0886 231:60 ----- 5.07, 5.46 A assign (resid 63 and name HB1) (resid 86 and name HE3) 4.15 2.35 2.35 ! 0.7929 232:60 Ambig 3.92, 4.18 A or (resid 64 and name HG2*) (resid 86 and name HE3) ! 0.1970 232:60 ----- 4.95, 5.55 A assign (resid 60 and name HD2*) (resid 86 and name HE3) 3.65 1.85 1.85 ! 0.9983 233:60 Long 2.24, 3.03 A assign (resid 63 and name HD1*) (resid 86 and name HE3) 3.65 1.85 1.85 ! 0.0000 234:60 Long 3.09, 4.07 A assign (resid 142 and name HB2) (resid 142 and name HD2) 2.65 0.85 0.85 ! 0.2458 235:60 Ambig 2.61, 3.34 A or (resid 146 and name HB2) (resid 146 and name HD2) ! 0.1913 235:60 ----- 2.72, 3.43 A or (resid 141 and name HB2) (resid 141 and name HD2) ! 0.1778 235:60 ----- 2.76, 3.64 A or (resid 141 and name HB1) (resid 141 and name HD2) ! 0.1450 235:60 ----- 2.85, 3.34 A or (resid 142 and name HB1) (resid 142 and name HD2) ! 0.1396 235:60 ----- 2.87, 3.53 A or (resid 145 and name HB1) (resid 146 and name HD2) ! 0.0627 235:60 ----- 3.28, 6.70 A assign (resid 52 and name HN) (resid 115 and name HE*) 3.15 1.35 1.35 ! 0.9928 237:60 Long 2.65, 4.87 A assign (resid 105 and name HN) (resid 79 and name HE*) 3.65 1.85 1.85 ! 0.8666 238:60 Ambig 3.49, 5.90 A or (resid 53 and name HN) (resid 115 and name HE*) ! 0.1016 238:60 ----- 4.98, 6.72 A assign (resid 129 and name HD*) (resid 129 and name HE*) 2.30 0.50 0.50 ! 0.0000 239:60 Intra 2.41, 3.68 A assign (resid 41 and name HD*) (resid 41 and name HE*) 2.30 0.50 0.50 ! 0.5041 240:60 Ambig 2.43, 3.68 A or (resid 21 and name HD*) (resid 21 and name HE*) ! 0.4959 240:60 ----- 2.44, 3.68 A assign (resid 78 and name HA) (resid 79 and name HE*) 3.15 1.35 1.35 ! 0.4721 241:60 Ambig 4.30, 6.08 A or (resid 115 and name HA) (resid 115 and name HE*) ! 0.2466 241:60 ----- 4.79, 5.57 A or (resid 79 and name HA) (resid 79 and name HE*) ! 0.1617 241:60 ----- 5.14, 5.31 A or (resid 71 and name HA) (resid 79 and name HE*) ! 0.1100 241:60 ----- 5.48, 7.40 A assign (resid 21 and name HA) (resid 21 and name HE*) 3.15 1.35 1.35 ! 0.7507 242:60 Ambig 4.74, 5.43 A or (resid 69 and name HA) (resid 21 and name HE*) ! 0.2294 242:60 ----- 5.78, 7.84 A assign (resid 59 and name HA) (resid 59 and name HE*) 3.65 1.85 1.85 ! 0.0000 244:60 Intra 5.04, 5.65 A assign (resid 123 and name HA) (resid 79 and name HE*) 3.65 1.85 1.85 ! 0.7976 245:60 Ambig 4.81, 7.19 A or (resid 122 and name HA) (resid 79 and name HE*) ! 0.1193 245:60 ----- 6.60, 8.95 A assign (resid 105 and name HA) (resid 79 and name HE*) 2.65 0.85 0.85 ! 0.9459 246:60 Long 1.96, 3.89 A assign (resid 52 and name HA) (resid 115 and name HE*) 2.65 0.85 0.85 ! 0.9758 247:60 Long 2.39, 3.77 A assign (resid 68 and name HA) (resid 21 and name HE*) 3.65 1.85 1.85 ! 0.7205 248:60 Ambig 4.97, 7.07 A or (resid 36 and name HA) (resid 21 and name HE*) ! 0.1769 248:60 ----- 6.27, 8.25 A or (resid 36 and name HA) (resid 41 and name HE*) ! 0.0577 248:60 ----- 7.56, 8.66 A assign (resid 20 and name HA) (resid 21 and name HE*) 3.15 1.35 1.35 ! 0.8719 249:60 Ambig 4.15, 5.35 A or (resid 17 and name HA) (resid 21 and name HE*) ! 0.1281 249:60 ----- 5.72, 7.84 A assign (resid 43 and name HA) (resid 42 and name HD2) 3.65 1.85 1.85 ! 0.7273 250:60 Ambig 4.08, 4.39 A or (resid 118 and name HA) (resid 42 and name HD2) ! 0.1983 250:60 ----- 5.07, 5.34 A assign (resid 59 and name HB1) (resid 59 and name HE*) 3.65 1.85 1.85 ! 0.0000 251:60 Intra 4.72, 5.03 A assign (resid 77 and name HA2) (resid 79 and name HE*) 3.15 1.35 1.35 ! 0.6129 254:60 Ambig 3.14, 5.15 A or (resid 72 and name HA) (resid 79 and name HE*) ! 0.3816 254:60 ----- 3.40, 4.61 A assign (resid 67 and name HD*) (resid 21 and name HE*) 3.15 1.35 1.35 ! 0.0000 255:60 Long 3.07, 5.88 A assign (resid 42 and name HB*) (resid 42 and name HD2) 2.65 0.85 0.85 ! 0.9987 256:60 Intra 2.80, 3.39 A assign (resid 129 and name HB*) (resid 129 and name HE*) 3.15 1.35 1.35 ! 0.0000 259:60 Intra 4.57, 5.04 A assign (resid 57 and name HB1) (resid 59 and name HE*) 3.15 1.35 1.35 ! 0.0000 260:60 Mid 2.81, 4.69 A assign (resid 51 and name HE*) (resid 115 and name HE*) 2.65 0.85 0.85 ! 0.4891 262:60 Ambig 2.83, 5.82 A or (resid 72 and name HE*) (resid 79 and name HE*) ! 0.4828 262:60 ----- 2.84, 4.71 A assign (resid 105 and name HB*) (resid 79 and name HE*) 2.65 0.85 0.85 ! 0.9824 263:60 Long 2.00, 4.90 A assign (resid 79 and name HB1) (resid 79 and name HE*) 3.15 1.35 1.35 ! 0.4476 264:60 Ambig 4.59, 5.04 A or (resid 79 and name HB2) (resid 79 and name HE*) ! 0.3730 264:60 ----- 4.73, 5.04 A or (resid 48 and name HG2) (resid 115 and name HE*) ! 0.1794 264:60 ----- 5.35, 7.35 A assign (resid 41 and name HB1) (resid 41 and name HE*) 3.15 1.35 1.35 ! 0.3025 265:60 Ambig 4.63, 5.05 A or (resid 21 and name HB1) (resid 21 and name HE*) ! 0.2845 265:60 ----- 4.67, 5.04 A or (resid 65 and name HE*) (resid 21 and name HE*) ! 0.2150 265:60 ----- 4.90, 7.77 A or (resid 120 and name HB2) (resid 21 and name HE*) ! 0.1192 265:60 ----- 5.40, 7.73 A assign (resid 21 and name HB2) (resid 21 and name HE*) 3.15 1.35 1.35 ! 0.4184 266:60 Ambig 4.54, 5.02 A or (resid 41 and name HB2) (resid 41 and name HE*) ! 0.3928 266:60 ----- 4.58, 5.05 A or (resid 84 and name HG*) (resid 21 and name HE*) ! 0.1887 266:60 ----- 5.18, 7.63 A assign (resid 132 and name HB1) (resid 129 and name HE*) 3.15 1.35 1.35 ! 0.5523 268:60 Ambig 4.14, 6.63 A or (resid 57 and name HG2) (resid 59 and name HE*) ! 0.4477 268:60 ----- 4.29, 6.39 A assign (resid 57 and name HB2) (resid 59 and name HE*) 3.15 1.35 1.35 ! 0.0000 269:60 Mid 3.04, 4.61 A assign (resid 51 and name HB*) (resid 115 and name HE*) 2.65 0.85 0.85 ! 0.4883 271:60 Ambig 3.18, 6.13 A or (resid 114 and name HG1) (resid 115 and name HE*) ! 0.4871 271:60 ----- 3.18, 3.65 A assign (resid 51 and name HG*) (resid 115 and name HE*) 2.30 0.50 0.50 ! 0.9785 272:60 Long 1.88, 4.88 A assign (resid 34 and name HG11) (resid 42 and name HD2) 2.65 0.85 0.85 ! 0.9861 273:60 Long 2.69, 3.18 A assign (resid 58 and name HB1) (resid 59 and name HE*) 3.65 1.85 1.85 ! 0.9342 274:60 Seq 4.52, 5.37 A assign (resid 111 and name HD2*) (resid 115 and name HE*) 2.30 0.50 0.50 ! 0.6908 277:60 Ambig 2.38, 5.31 A or (resid 94 and name HD2*) (resid 115 and name HE*) ! 0.1497 277:60 ----- 3.07, 5.18 A or (resid 123 and name HD2*) (resid 79 and name HE*) ! 0.0984 277:60 ----- 3.30, 6.08 A assign (resid 121 and name HG2*) (resid 79 and name HE*) 2.65 0.85 0.85 ! 0.9925 278:60 Long 1.99, 4.57 A assign (resid 18 and name HG1) (resid 21 and name HE*) 2.65 0.85 0.85 ! 0.6466 279:60 Ambig 2.89, 6.10 A or (resid 69 and name HG12) (resid 21 and name HE*) ! 0.2088 279:60 ----- 3.49, 5.19 A or (resid 33 and name HD*) (resid 41 and name HE*) ! 0.0646 279:60 ----- 4.24, 5.93 A assign (resid 69 and name HD1*) (resid 21 and name HE*) 2.30 0.50 0.50 ! 0.8616 280:60 Ambig 1.95, 4.32 A or (resid 35 and name HG*) (resid 41 and name HE*) ! 0.1373 280:60 ----- 2.65, 4.73 A assign (resid 44 and name HD1*) (resid 42 and name HD2) 2.65 0.85 0.85 ! 0.7003 281:60 Ambig 2.19, 4.70 A or (resid 34 and name HD1*) (resid 42 and name HD2) ! 0.2884 281:60 ----- 2.54, 3.98 A assign (resid 60 and name HD1*) (resid 59 and name HE*) 4.15 2.35 2.35 ! 0.0000 282:60 Seq 5.78, 8.37 A assign (resid 94 and name HD1*) (resid 115 and name HE*) 2.65 0.85 0.85 ! 0.8931 283:60 Ambig 2.02, 4.83 A or (resid 108 and name HG1*) (resid 79 and name HE*) ! 0.0567 283:60 ----- 3.19, 4.99 A assign (resid 36 and name HD2*) (resid 42 and name HD2) 3.65 1.85 1.85 ! 0.9093 284:60 Long 4.81, 5.95 A assign (resid 108 and name HG2*) (resid 79 and name HE*) 3.65 1.85 1.85 ! 0.0000 285:60 Long 3.73, 5.03 A assign (resid 63 and name HD1*) (resid 59 and name HE*) 4.15 2.35 2.35 ! 0.0000 286:60 Mid 7.64, 8.71 A assign (resid 63 and name HD2*) (resid 86 and name HZ2) 3.65 1.85 1.85 ! 0.0000 288:60 Long 3.64, 4.74 A assign (resid 63 and name HD1*) (resid 86 and name HZ2) 3.65 1.85 1.85 ! 0.0000 289:60 Long 3.72, 4.75 A assign (resid 61 and name HH2) (resid 61 and name HZ2) 2.65 0.85 0.85 ! 0.0000 290:60 Intra 2.44, 2.45 A assign (resid 54 and name HA) (resid 61 and name HZ2) 4.15 2.35 2.35 ! 0.0000 291:60 Long 3.09, 3.67 A assign (resid 53 and name HA) (resid 61 and name HZ2) 3.65 1.85 1.85 ! 0.9815 292:60 Long 3.83, 4.04 A assign (resid 53 and name HB1) (resid 61 and name HZ2) 3.65 1.85 1.85 ! 0.9910 293:60 Long 2.63, 4.42 A assign (resid 53 and name HB2) (resid 61 and name HZ2) 3.65 1.85 1.85 ! 0.0000 294:60 Long 2.59, 2.90 A assign (resid 58 and name HG) (resid 61 and name HZ2) 4.15 2.35 2.35 ! 0.6161 295:60 Ambig 5.89, 6.09 A or (resid 56 and name HD1*) (resid 61 and name HZ2) ! 0.1432 295:60 ----- 7.51, 8.48 A or (resid 49 and name HG1*) (resid 61 and name HZ2) ! 0.1290 295:60 ----- 7.64, 8.71 A or (resid 24 and name HG12) (resid 61 and name HZ2) ! 0.0614 295:60 ----- 8.64, 8.84 A assign (resid 58 and name HD1*) (resid 61 and name HZ2) 4.15 2.35 2.35 ! 0.0000 296:60 Mid 4.71, 6.91 A assign (resid 58 and name HD2*) (resid 61 and name HZ2) 3.65 1.85 1.85 ! 0.8384 297:60 Ambig 3.65, 4.68 A or (resid 28 and name HD1*) (resid 61 and name HZ2) ! 0.1616 297:60 ----- 4.80, 5.85 A assign (resid 60 and name HN) (resid 59 and name HD*) 2.65 0.85 0.85 ! 0.9690 298:60 Seq 3.45, 4.47 A assign (resid 104 and name HA) (resid 79 and name HD*) 3.65 1.85 1.85 ! 0.0000 299:60 Long 3.51, 5.93 A assign (resid 72 and name HG2) (resid 79 and name HD*) 3.15 1.35 1.35 ! 0.7582 300:60 Ambig 3.50, 5.03 A or (resid 123 and name HD2*) (resid 79 and name HD*) ! 0.0889 300:60 ----- 5.01, 7.48 A or (resid 104 and name HD2*) (resid 79 and name HD*) ! 0.0550 300:60 ----- 5.42, 8.65 A assign (resid 68 and name HZ) (resid 68 and name HD*) 3.15 1.35 1.35 ! 0.5197 301:60 Ambig 4.26, 4.26 A or (resid 70 and name HZ) (resid 68 and name HD*) ! 0.4285 301:60 ----- 4.40, 4.70 A assign (resid 68 and name HN) (resid 68 and name HD*) 3.65 1.85 1.85 ! 0.9831 302:60 Intra 2.65, 3.63 A assign (resid 70 and name HZ) (resid 70 and name HD*) 3.15 1.35 1.35 ! 0.5550 303:60 Ambig 4.25, 4.26 A or (resid 79 and name HD*) (resid 70 and name HD*) ! 0.4401 303:60 ----- 4.41, 5.94 A assign (resid 70 and name HE*) (resid 70 and name HZ) 2.65 0.85 0.85 ! 0.9934 304:60 Intra 2.44, 2.45 A assign (resid 111 and name HD1*) (resid 70 and name HZ) 2.65 0.85 0.85 ! 0.8932 305:60 Ambig 2.33, 3.13 A or (resid 91 and name HG2*) (resid 70 and name HZ) ! 0.0426 305:60 ----- 3.87, 4.56 A assign (resid 61 and name HB1) (resid 61 and name HZ3) 3.65 1.85 1.85 ! 0.9821 306:60 Intra 4.94, 5.03 A assign (resid 140 and name HB*) (resid 142 and name HD2) 3.15 1.35 1.35 ! 0.5562 309:60 Ambig 2.02, 5.90 A or (resid 140 and name HB*) (resid 141 and name HD2) ! 0.4345 309:60 ----- 2.10, 5.81 A assign (resid 142 and name HB2) (resid 142 and name HD2) 2.65 0.85 0.85 ! 0.4584 312:60 Ambig 2.61, 3.34 A or (resid 146 and name HB1) (resid 146 and name HD2) ! 0.3235 312:60 ----- 2.77, 3.38 A or (resid 144 and name HB2) (resid 146 and name HD2) ! 0.1277 312:60 ----- 3.23, 8.52 A assign (resid 115 and name HD*) (resid 115 and name HE*) 2.30 0.50 0.50 ! 0.9388 313:60 Intra 2.44, 3.68 A assign (resid 60 and name HN) (resid 59 and name HE*) 3.65 1.85 1.85 ! 0.8879 314:60 Ambig 5.65, 6.40 A or (resid 86 and name HZ3) (resid 59 and name HE*) ! 0.1121 314:60 ----- 7.98, 9.17 A assign (resid 128 and name HA) (resid 129 and name HE*) 4.15 2.35 2.35 ! 0.6078 316:60 Ambig 3.96, 6.74 A or (resid 129 and name HA) (resid 129 and name HE*) ! 0.3922 316:60 ----- 4.27, 5.51 A assign (resid 128 and name HB1) (resid 129 and name HE*) 4.15 2.35 2.35 ! 0.8700 317:60 Ambig 3.52, 7.71 A or (resid 128 and name HB2) (resid 129 and name HE*) ! 0.1300 317:60 ----- 4.83, 7.69 A assign (resid 57 and name HG1) (resid 59 and name HE*) 3.15 1.35 1.35 ! 0.0000 318:60 Mid 3.71, 6.07 A assign (resid 141 and name HA) (resid 141 and name HD2) 3.15 1.35 1.35 ! 0.7122 320:60 Ambig 2.47, 3.21 A or (resid 141 and name HA) (resid 142 and name HD2) ! 0.2017 320:60 ----- 3.05, 5.05 A assign (resid 28 and name HD1*) (resid 61 and name HZ3) 3.65 1.85 1.85 ! 0.8415 322:60 Ambig 2.82, 3.50 A or (resid 58 and name HD2*) (resid 61 and name HZ3) ! 0.1585 322:60 ----- 3.73, 4.37 A assign (resid 137 and name HB1) (resid 141 and name HD2) 3.65 1.85 1.85 ! 0.6833 323:60 Ambig 3.29, 5.95 A or (resid 137 and name HB1) (resid 142 and name HD2) ! 0.2137 323:60 ----- 4.00, 7.68 A or (resid 58 and name HA) (resid 61 and name HZ3) ! 0.0537 323:60 ----- 5.03, 5.56 A assign (resid 34 and name HG12) (resid 42 and name HD2) 3.15 1.35 1.35 ! 0.5865 325:60 Ambig 3.24, 3.86 A or (resid 67 and name HG2) (resid 42 and name HD2) ! 0.3795 325:60 ----- 3.49, 3.93 A assign (resid 72 and name HB2) (resid 79 and name HE*) 2.65 0.85 0.85 ! 0.6215 326:60 Ambig 2.46, 4.11 A or (resid 72 and name HD*) (resid 79 and name HE*) ! 0.3045 326:60 ----- 2.78, 4.89 A assign (resid 44 and name HG1*) (resid 42 and name HD2) 3.15 1.35 1.35 ! 0.9939 327:60 Mid 2.60, 2.99 A assign (resid 57 and name HD1) (resid 59 and name HE*) 3.65 1.85 1.85 ! 0.8703 328:60 Ambig 5.60, 7.64 A or (resid 60 and name HA) (resid 59 and name HE*) ! 0.1297 328:60 ----- 7.69, 8.34 A assign (resid 60 and name HB2) (resid 61 and name HD1) 3.65 1.85 1.85 ! 0.9109 330:60 Seq 3.20, 3.27 A assign (resid 63 and name HB2) (resid 86 and name HD1) 3.65 1.85 1.85 ! 0.8867 331:60 Ambig 4.25, 4.58 A or (resid 64 and name HG1*) (resid 86 and name HD1) ! 0.0844 331:60 ----- 6.29, 7.34 A
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