NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
552636 | 2ksy | 16678 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ksy save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 4322 _Distance_constraint_stats_list.Viol_count 68372 _Distance_constraint_stats_list.Viol_total 1215046.375 _Distance_constraint_stats_list.Viol_max 2.914 _Distance_constraint_stats_list.Viol_rms 0.4543 _Distance_constraint_stats_list.Viol_average_all_restraints 0.3124 _Distance_constraint_stats_list.Viol_average_violations_only 0.5924 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 MET 328.508 2.406 13 30 [*****-******+*****************] 1 2 VAL 431.420 2.267 10 30 [*********+********************] 1 3 GLY 490.033 1.943 18 30 [****************-+************] 1 4 LEU 1577.342 2.612 20 30 [*******************+*********-] 1 5 THR 608.624 2.479 29 30 [*-**************************+*] 1 6 THR 605.078 2.144 28 30 [****************-**********+**] 1 7 LEU 1110.094 2.258 14 30 [*************+*-**************] 1 8 PHE 1207.326 2.479 29 30 [***-************************+*] 1 9 TRP 1166.620 2.301 2 30 [*+*-**************************] 1 10 LEU 809.717 1.732 16 30 [***************+***********-**] 1 11 GLY 212.148 1.581 15 30 [***-**********+***************] 1 12 ALA 972.007 2.346 26 30 [*************************+*-**] 1 13 ILE 648.355 1.687 6 30 [*****+*******************-****] 1 14 GLY 247.017 2.184 16 30 [-**************+**************] 1 15 MET 760.597 2.418 18 30 [*****************+*******-****] 1 16 LEU 840.898 1.687 6 30 [*****+*********************-**] 1 17 VAL 661.993 1.953 28 30 [***************-***********+**] 1 18 GLY 226.140 1.695 22 30 [****************-****+********] 1 19 THR 526.280 1.673 2 30 [*+***************************-] 1 20 LEU 647.549 1.732 16 30 [***************+***********-**] 1 21 ALA 359.450 1.583 15 30 [**************+*-*************] 1 22 PHE 1031.118 2.668 21 30 [********************+*-*******] 1 23 ALA 510.333 1.790 12 30 [**-********+******************] 1 24 TRP 595.530 2.301 2 30 [*+**********************-*****] 1 25 ALA 503.271 2.301 2 30 [*+**********************-*****] 1 26 GLY 99.871 0.760 8 30 [*-*****+**********************] 1 27 ARG 695.595 2.051 21 30 [***************-****+*********] 1 28 ASP 209.367 1.657 21 30 [******-*************+*********] 1 29 ALA 393.676 1.589 13 30 [********-***+*****************] 1 30 GLY 346.167 1.781 13 30 [************+**************-**] 1 31 SER 119.509 2.301 2 30 [*+********-*******************] 1 32 GLY 36.049 1.388 9 21 "[* *** **+** * .*****-* ** **3]" 1 33 GLU 535.594 1.781 13 30 [********-***+*****************] 1 34 ARG 57.830 1.223 15 29 "[**********-***+* *************]" 1 35 ARG 236.853 1.583 15 30 [**************+*-*************] 1 36 TYR 1044.910 2.001 3 30 [**+***************-***********] 1 37 TYR 499.534 1.362 17 30 [****************+*************] 1 38 VAL 570.446 2.301 2 30 [*+********************-*******] 1 39 THR 689.688 2.914 18 30 [***************-*+************] 1 40 LEU 1517.152 2.830 29 30 [************************-***+*] 1 41 VAL 992.519 1.790 12 30 [***********+**********-*******] 1 42 GLY 213.695 1.678 11 30 [******-***+*******************] 1 43 ILE 714.454 2.830 29 30 [****************-***********+*] 1 44 SER 257.610 2.233 23 30 [*********************-+*******] 1 45 GLY 284.383 2.051 21 30 [********************+****-****] 1 46 ILE 1091.056 2.240 3 30 [**+-**************************] 1 47 ALA 410.530 2.378 18 30 [**-**************+************] 1 48 ALA 496.812 2.019 18 30 [****************-+************] 1 49 VAL 610.148 1.538 18 30 [********-********+************] 1 50 ALA 506.467 2.243 23 30 [**********************+****-**] 1 51 TYR 1433.839 2.504 9 30 [********+******************-**] 1 52 ALA 481.542 1.420 26 30 [***************-*********+****] 1 53 VAL 826.581 1.560 20 30 [*********-*********+**********] 1 54 MET 549.605 2.068 30 30 [*-***************************+] 1 55 ALA 674.955 1.962 28 30 [***-***********************+**] 1 56 LEU 1063.178 2.207 5 30 [****+**-**********************] 1 57 GLY 62.713 0.887 30 29 "[****-*** ********************+]" 1 58 VAL 524.455 2.051 21 30 [********************+******-**] 1 59 GLY 184.966 2.184 16 30 [***************+********-*****] 1 60 TRP 1301.546 2.612 20 30 [*******************+********-*] 1 61 VAL 689.826 2.207 5 30 [****+***********************-*] 1 62 PRO 473.328 2.048 24 30 [***********************+****-*] 1 63 VAL 800.889 1.724 23 30 [**********************+*****-*] 1 64 ALA 381.579 2.051 21 30 [**-*****************+*********] 1 65 GLU 446.699 2.207 5 30 [****+-************************] 1 66 ARG 86.975 1.633 7 30 [*-****+***********************] 1 67 THR 818.387 2.170 23 30 [**********************+*****-*] 1 68 VAL 752.878 2.207 5 30 [***-+*************************] 1 69 PHE 1034.526 2.195 28 30 [*****************-*********+**] 1 70 VAL 999.893 2.301 2 30 [*+-***************************] 1 72 ARG 479.904 2.109 6 30 [*****+*********-**************] 1 73 TYR 1369.167 2.358 9 30 [********+*********************] 1 74 ILE 1471.983 1.695 22 30 [***************-*****+********] 1 75 ASP 650.965 2.243 23 30 [********-*************+*******] 1 76 TRP 447.906 2.002 4 30 [***+-*************************] 1 77 ILE 1134.982 1.687 6 30 [*****+*********-**************] 1 78 LEU 788.969 2.240 3 30 [**+******-********************] 1 79 THR 708.512 1.863 14 30 [*************+***********-****] 1 80 THR 522.630 2.605 28 30 [****-**********************+**] 1 81 PRO 162.196 1.641 25 30 [************************+-****] 1 82 LEU 551.505 1.772 28 30 [*********-*****************+**] 1 83 ILE 485.943 2.498 19 30 [********-*********+***********] 1 84 VAL 880.302 2.534 28 30 [**********-****************+**] 1 85 TYR 890.411 2.050 19 30 [**********-*******+***********] 1 86 PHE 1808.714 2.754 22 30 [********-************+********] 1 87 LEU 655.359 2.119 14 30 [*************+**************-*] 1 88 GLY 180.244 1.662 24 30 [**-********************+******] 1 89 LEU 1458.797 2.914 18 30 [****************-+************] 1 90 LEU 1662.998 2.754 22 30 [******************-**+********] 1 91 ALA 592.333 1.448 8 30 [*******+*******-**************] 1 92 GLY 283.025 1.571 30 30 [******************-**********+] 1 93 LEU 1341.194 1.732 16 30 [***-***********+**************] 1 94 ASP 329.451 1.469 25 30 [***********-************+*****] 1 95 SER 313.463 1.732 16 30 [***************+***********-**] 1 96 ARG 677.608 1.642 18 30 [****************-+************] 1 97 GLU 565.803 2.001 16 30 [***********-***+**************] 1 98 PHE 949.290 1.943 9 30 [********+******-**************] 1 99 GLY 243.575 1.272 23 30 [**********************+****-**] 1 100 ILE 658.275 1.651 24 30 [***-*******************+******] 1 101 VAL 737.919 1.738 5 30 [***-+*************************] 1 102 ILE 1088.221 2.207 5 30 [****+*****-*******************] 1 103 THR 337.162 1.641 25 30 [************************+-****] 1 104 LEU 764.616 2.051 21 30 [*********-**********+*********] 1 105 ASN 615.544 2.534 28 30 [****************-**********+**] 1 106 THR 500.353 1.641 25 30 [****************-*******+*****] 1 107 VAL 674.164 1.953 28 30 [********************-******+**] 1 108 VAL 585.719 2.070 27 30 [**************************+*-*] 1 109 MET 469.541 1.879 23 30 [***************-******+*******] 1 110 LEU 631.385 1.737 9 30 [********+*******-*************] 1 111 ALA 484.994 2.107 28 30 [***************************+-*] 1 112 GLY 149.362 1.220 9 30 [***-****+*********************] 1 113 PHE 872.885 2.109 6 30 [*****+-***********************] 1 114 ALA 484.669 1.796 23 30 [************-*********+*******] 1 115 GLY 326.035 2.051 21 30 [************-*******+*********] 1 116 ALA 432.902 1.566 4 30 [***+***********-**************] 1 117 MET 435.391 2.207 5 30 [****+***-*********************] 1 118 VAL 398.962 1.560 20 30 [*********-*********+**********] 1 120 GLY 273.141 1.583 15 30 [**************+*-*************] 1 121 ILE 885.725 1.833 28 30 [****************-**********+**] 1 122 GLU 497.227 2.207 5 30 [****+***-*********************] 1 123 ARG 213.194 1.341 15 30 [***-**********+***************] 1 124 TYR 763.293 1.833 28 30 [***-***********************+**] 1 125 ALA 303.247 1.444 15 30 [**************+*-*************] 1 126 LEU 713.563 2.207 5 30 [****+*-***********************] 1 127 PHE 825.751 2.681 2 30 [*+****-***********************] 1 128 GLY 328.099 1.695 22 30 [****-****************+********] 1 129 MET 578.293 2.107 28 30 [********-******************+**] 1 130 GLY 134.819 2.070 27 30 [*****-********************+***] 1 131 ALA 506.591 2.301 2 30 [*+****************************] 1 132 VAL 497.312 1.565 1 30 [+******-**********************] 1 133 ALA 307.495 1.706 16 30 [******-********+**************] 1 134 PHE 927.268 2.302 8 30 [*******+**********************] 1 135 ILE 1081.442 1.953 28 30 [**************************-+**] 1 136 GLY 346.770 2.051 21 30 [******************-*+*********] 1 137 LEU 1232.249 2.036 21 30 [****************-***+*********] 1 138 VAL 953.202 2.301 2 30 [*+************************-***] 1 139 TYR 687.334 1.396 24 30 [***********************+***-**] 1 140 TYR 832.978 2.409 9 30 [***-****+*********************] 1 141 LEU 823.821 2.055 25 30 [************************+-****] 1 142 VAL 473.541 1.953 28 30 [****************-**********+**] 1 143 GLY 242.326 1.407 28 30 [***************-***********+**] 1 145 MET 607.078 2.409 9 30 [********+*********************] 1 146 THR 296.504 1.641 25 30 [****-*******************+*****] 1 147 GLU 625.086 2.207 5 30 [****+***********-*************] 1 148 SER 344.208 2.051 21 30 [****************-***+*********] 1 149 ALA 472.150 2.051 21 30 [********************+-********] 1 150 SER 288.443 1.583 15 30 [**************+*-*************] 1 151 GLN 215.097 1.443 16 30 [***************+**************] 1 152 ARG 172.990 1.341 15 30 [**************+-**************] 1 153 SER 100.755 1.583 15 30 [*****-********+***************] 1 154 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 155 GLY 53.145 1.216 19 30 [******************+********-**] 1 156 ILE 777.690 2.207 5 30 [****+****************-********] 1 157 LYS 37.104 0.450 21 0 "[ . 1 . 2 . 3]" 1 158 SER 441.215 1.732 16 30 [***************+-*************] 1 159 LEU 803.695 2.754 22 30 [****************-****+********] 1 160 TYR 696.833 2.370 18 30 [****-************+************] 1 161 VAL 542.906 1.560 20 30 [*********-*********+**********] 1 162 ARG 650.179 1.956 11 30 [**********+****************-**] 1 163 LEU 1332.910 2.613 3 30 [**+****-**********************] 1 164 ARG 174.044 1.546 14 30 [*************+-***************] 1 165 ASN 284.798 1.630 22 30 [-********************+********] 1 166 LEU 901.277 2.051 21 30 [***************-****+*********] 1 167 THR 666.178 2.499 28 30 [*******-*******************+**] 1 168 VAL 661.793 2.301 2 30 [*+*****-**********************] 1 169 VAL 674.222 2.207 5 30 [****+**********-**************] 1 170 LEU 983.430 2.207 5 30 [****+***-*********************] 1 171 TRP 904.384 2.605 28 30 [***************-***********+**] 1 172 ALA 611.994 2.302 8 30 [*******+**************-*******] 1 173 ILE 1171.847 2.386 22 30 [****-****************+********] 1 174 TYR 611.938 2.051 21 30 [****-***************+*********] 1 176 PHE 745.155 1.772 29 30 [***************-************+*] 1 177 ILE 1525.696 2.778 22 30 [*********************+****-***] 1 178 TRP 949.287 2.358 9 30 [********+*****************-***] 1 179 LEU 1185.252 2.681 2 30 [*+*-**************************] 1 180 LEU 1039.166 2.207 5 30 [****+**********-**************] 1 181 GLY 254.064 1.732 16 30 [***********-***+**************] 1 184 GLY 455.811 1.695 22 30 [****************-****+********] 1 185 VAL 621.654 2.868 3 30 [**+*************-*************] 1 186 ALA 153.830 1.312 23 30 [******-***************+*******] 1 187 LEU 814.507 2.868 3 30 [**+*****************-*********] 1 188 LEU 464.671 2.133 15 30 [******-*******+***************] 1 189 THR 466.730 1.832 9 30 [********+******-**************] 1 191 THR 431.863 2.141 18 30 [****************-+************] 1 192 VAL 622.646 1.919 3 30 [**+*****-*********************] 1 193 ASP 111.805 1.272 8 30 [*******+*-********************] 1 194 VAL 936.510 2.258 14 30 [******-******+****************] 1 195 ALA 435.636 2.051 21 30 [-*******************+*********] 1 196 LEU 706.233 1.860 25 30 [-***********************+*****] 1 197 ILE 1077.756 2.219 13 30 [***********-+*****************] 1 198 VAL 1153.420 2.448 22 30 [*********-***********+********] 1 199 TYR 679.762 2.092 30 30 [***************-*************+] 1 200 LEU 1551.461 2.778 22 30 [**-******************+********] 1 201 ASP 392.358 1.732 16 30 [***************+**-***********] 1 202 LEU 1199.136 2.504 9 30 [**-*****+*********************] 1 203 VAL 625.509 1.842 23 30 [*********-************+*******] 1 204 THR 1027.552 2.499 28 30 [***************-***********+**] 1 205 . 79.718 1.227 12 30 [***********+**************-***] 1 206 VAL 859.696 2.184 16 30 [***************+-*************] 1 207 GLY 425.372 1.745 25 30 [*****************-******+*****] 1 208 PHE 714.639 2.174 21 30 [****-***************+*********] 1 209 GLY 109.994 1.709 17 30 [****-***********+*************] 1 210 PHE 768.092 1.745 25 30 [****-*******************+*****] 1 211 ILE 786.418 2.052 13 30 [************+****************-] 1 212 ALA 766.142 1.732 16 30 [***************+*************-] 1 213 LEU 1145.161 2.207 5 30 [****+*******************-*****] 1 214 ASP 253.357 1.449 26 30 [**********************-**+****] 1 215 ALA 344.929 1.641 25 30 [*********************-**+*****] 1 216 ALA 407.521 1.220 9 30 [********+************-********] 1 217 ALA 322.906 1.583 15 30 [**************+*-*************] 1 218 THR 427.394 1.641 25 30 [****************-*******+*****] 1 219 LEU 1005.968 1.651 24 30 [****************-******+******] 1 220 ARG 229.764 1.583 15 30 [**************+*-*************] 1 221 ALA 314.346 1.641 25 30 [***-********************+*****] 1 222 GLU 558.157 2.207 5 30 [****+***-*********************] 1 223 HIS 301.933 2.110 12 30 [***-*******+******************] 1 224 GLY 263.255 2.110 12 30 [***********+***************-**] 1 225 GLU 560.181 2.207 5 30 [****+***-*********************] 1 226 SER 157.320 2.051 21 30 [***-****************+*********] 1 227 LEU 326.950 1.642 18 30 [***************-*+************] 1 228 ALA 310.159 2.088 21 30 [***************-****+*********] 1 229 GLY 274.123 2.088 21 30 [*************-******+*********] 1 230 VAL 355.969 2.025 18 30 [*****************+************] 1 231 ASP 73.906 1.449 26 28 "[****.**-******** ********+****]" 1 232 THR 305.709 2.552 22 30 [*********************+***-****] 1 233 ASP 94.108 1.449 26 30 [******-******************+****] 1 234 THR 345.373 2.552 22 30 [****************-****+********] 1 236 ALA 158.268 1.641 25 30 [*************-**********+*****] 1 237 VAL 523.022 2.207 5 30 [****+-************************] 1 238 ALA 182.337 1.641 25 30 [***************-********+*****] 1 239 ASP 126.844 1.449 26 30 [***************-*********+****] 1 240 LEU 380.822 1.642 18 30 [***************-*+************] 1 241 GLU 418.983 1.687 6 30 [*****+***-********************] stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 MET ME 1 2 VAL H 5.500 4.400 6.600 3.667 2.133 4.778 2.267 10 19 "[ * ** ***+* .** * ******* -]" 1 2 1 1 MET ME 1 3 GLY H 3.800 3.000 4.600 3.140 1.891 4.077 1.109 11 3 "[ . *+ . 2 - . 3]" 1 3 1 1 MET ME 1 171 TRP HE1 4.300 3.400 5.200 5.505 5.084 5.711 0.511 6 1 "[ .+ 1 . 2 . 3]" 1 4 1 1 MET ME 1 59 GLY H 4.400 3.500 5.300 5.967 5.835 6.011 0.711 25 30 [********************-***+*****] 1 5 1 1 MET ME 1 200 LEU H 3.700 3.000 4.400 3.972 3.917 4.153 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 1 MET ME 1 194 VAL H 3.500 2.800 4.200 4.959 4.794 5.169 0.969 29 30 [*****************-**********+*] 1 7 1 1 MET ME 1 188 LEU H 3.700 3.000 4.400 5.769 5.427 5.960 1.560 20 30 [******************-+**********] 1 8 1 1 MET ME 1 42 GLY H 4.300 3.400 5.200 6.003 5.876 6.043 0.843 12 30 [***********+*-****************] 1 9 1 1 MET ME 1 2 VAL QG 4.700 3.800 5.600 4.475 3.061 5.420 0.739 27 2 "[ . -1 . 2 . + 3]" 1 10 1 1 MET ME 1 3 GLY QA 5.200 4.200 6.200 4.005 3.040 4.696 1.160 10 9 "[ -* ** *+ . 2 * * *3]" 1 11 1 1 MET ME 1 3 GLY QA 4.900 3.900 5.900 3.589 1.957 4.371 1.943 18 5 "[ * . * * . + 2 - 3]" 1 12 1 1 MET ME 1 4 LEU QB 4.200 3.400 5.000 2.322 1.777 3.660 1.623 13 23 "[* .*** -**+***********.*** *]" 1 13 1 1 MET ME 1 4 LEU QD 5.400 4.300 6.500 2.351 1.894 2.791 2.406 13 30 [************+*************-***] 1 14 1 1 MET ME 1 4 LEU QD 4.500 3.800 5.400 2.344 1.890 2.769 1.910 13 30 [************+*************-***] 1 15 1 1 MET ME 1 191 THR H . 4.000 4.300 4.756 2.975 5.947 1.647 10 20 "[ ****-***+* ***** * ** . * *3]" 1 16 1 1 MET ME 1 191 THR HB 5.100 4.100 6.100 4.606 1.959 5.976 2.141 18 3 "[ - . 1 * . + 2 . 3]" 1 17 1 2 VAL H 1 2 VAL HA 3.200 2.600 3.800 2.745 2.269 2.874 0.331 6 0 "[ . 1 . 2 . 3]" 1 18 1 2 VAL H 1 2 VAL HB 3.000 2.400 3.500 3.308 2.572 3.875 0.375 25 0 "[ . 1 . 2 . 3]" 1 19 1 2 VAL H 1 2 VAL QG 3.800 3.000 4.200 2.386 1.881 3.205 1.119 12 15 "[***** * 1 +* . **2* * * -*]" 1 20 1 2 VAL H 1 3 GLY H 3.600 2.900 4.300 2.290 1.811 3.635 1.089 18 22 "[***** ***1 * .**+-2******* **]" 1 21 1 2 VAL H 1 3 GLY H 3.600 2.900 4.300 1.928 1.752 2.380 1.148 9 30 [*****-**+*********************] 1 22 1 2 VAL H 1 72 ARG H 3.600 2.900 4.300 4.831 4.655 4.972 0.672 10 19 "[* * - *+ ***** 2 *********]" 1 23 1 2 VAL H 1 99 GLY H 5.200 4.200 6.200 5.921 5.804 5.992 . 0 0 "[ . 1 . 2 . 3]" 1 24 1 2 VAL H 1 4 LEU QD 5.800 4.600 7.000 5.329 4.445 5.718 0.155 11 0 "[ . 1 . 2 . 3]" 1 25 1 2 VAL H 1 5 THR H 4.400 3.500 5.300 4.711 3.239 5.847 0.547 10 1 "[ . + . 2 . 3]" 1 26 1 2 VAL H 1 231 ASP H 3.900 3.100 4.700 4.163 3.148 4.566 . 0 0 "[ . 1 . 2 . 3]" 1 27 1 2 VAL HA 1 2 VAL HB 2.800 2.200 3.400 2.385 2.175 2.693 0.025 27 0 "[ . 1 . 2 . 3]" 1 28 1 2 VAL HA 1 2 VAL QG 3.300 2.600 4.000 2.226 2.115 2.384 0.485 15 0 "[ . 1 . 2 . 3]" 1 29 1 2 VAL HA 1 2 VAL QG 3.300 2.600 4.000 2.173 2.087 2.317 0.513 11 2 "[ . 1+ - 2 . 3]" 1 30 1 2 VAL HA 1 3 GLY H 3.500 2.800 4.200 3.217 2.170 3.567 0.630 6 5 "[ .+ * *- 2 . * 3]" 1 31 1 2 VAL HA 1 3 GLY H 2.800 2.200 3.400 2.212 2.021 2.379 0.179 28 0 "[ . 1 . 2 . 3]" 1 32 1 2 VAL HA 1 5 THR H 3.200 2.600 3.800 2.701 2.593 2.753 0.007 25 0 "[ . 1 . 2 . 3]" 1 33 1 2 VAL HA 1 6 THR H 3.200 2.600 3.800 2.587 2.559 2.618 0.041 11 0 "[ . 1 . 2 . 3]" 1 34 1 2 VAL HA 1 156 ILE H 3.700 3.000 4.400 5.542 5.359 5.738 1.338 23 30 [**********************+*-*****] 1 35 1 2 VAL HA 1 224 GLY H 5.400 4.300 6.500 5.408 4.299 5.989 0.001 13 0 "[ . 1 . 2 . 3]" 1 36 1 2 VAL HA 1 115 GLY H 4.000 3.200 4.800 4.869 4.712 5.054 0.254 1 0 "[ . 1 . 2 . 3]" 1 37 1 2 VAL HA 1 5 THR HB 3.600 2.900 4.300 2.446 2.413 2.483 0.487 14 0 "[ . 1 . 2 . 3]" 1 38 1 2 VAL HA 1 5 THR MG 3.400 2.700 4.100 2.320 2.150 2.419 0.550 25 1 "[ . 1 . 2 + 3]" 1 39 1 2 VAL HA 1 60 TRP H 3.900 3.100 4.700 5.177 4.520 5.909 1.209 23 14 "[-** . * * * ** 2 +** * **]" 1 40 1 2 VAL HA 1 6 THR H 4.800 3.800 5.800 5.463 4.806 6.015 0.215 13 0 "[ . 1 . 2 . 3]" 1 41 1 2 VAL HB 1 55 ALA H 4.000 3.200 4.800 5.329 5.200 5.494 0.694 27 21 "[ ** ** * -* **.*********.*+ *]" 1 42 1 2 VAL QG 1 3 GLY H 4.000 3.200 4.800 2.813 1.998 3.562 1.202 8 14 "[*- *. + 1*** .* **2 * .** *]" 1 43 1 2 VAL QG 1 3 GLY H 3.400 2.700 4.100 2.375 1.919 2.694 0.781 8 9 "[* . + 1 -* .* 2 * .** *]" 1 44 1 2 VAL QG 1 5 THR H 4.900 3.900 5.900 4.770 4.250 5.385 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 2 VAL QG 1 5 THR HB 4.600 3.700 5.500 2.899 2.421 3.380 1.279 2 27 "[*+*******1**-*.******* *******]" 1 46 1 2 VAL QG 1 6 THR H 4.700 3.800 5.600 5.231 4.464 5.977 0.377 19 0 "[ . 1 . 2 . 3]" 1 47 1 2 VAL QG 1 9 TRP H 4.500 3.600 5.400 4.118 4.070 4.192 . 0 0 "[ . 1 . 2 . 3]" 1 48 1 2 VAL QG 1 12 ALA H 4.400 3.500 5.300 4.417 4.101 4.872 . 0 0 "[ . 1 . 2 . 3]" 1 49 1 2 VAL QG 1 13 ILE H 4.700 3.800 5.600 5.109 4.965 5.361 . 0 0 "[ . 1 . 2 . 3]" 1 50 1 2 VAL QG 1 69 PHE H 3.900 3.100 4.700 4.935 4.595 5.270 0.570 20 11 "[ -****1* . *+* . **3]" 1 51 1 2 VAL QG 1 176 PHE H 4.200 3.400 5.000 5.266 5.157 5.357 0.357 28 0 "[ . 1 . 2 . 3]" 1 52 1 2 VAL QG 1 59 GLY H 4.300 3.400 5.200 4.260 3.191 4.805 0.209 16 0 "[ . 1 . 2 . 3]" 1 53 1 2 VAL QG 1 114 ALA H 4.800 3.800 5.800 5.028 4.890 5.171 . 0 0 "[ . 1 . 2 . 3]" 1 54 1 2 VAL QG 1 112 GLY H 4.200 3.400 5.000 5.288 5.097 5.481 0.481 10 0 "[ . 1 . 2 . 3]" 1 55 1 2 VAL QG 1 128 GLY H 4.200 3.400 5.000 4.648 4.443 4.873 . 0 0 "[ . 1 . 2 . 3]" 1 56 1 3 GLY H 1 3 GLY QA 3.200 2.600 3.800 2.305 2.214 2.502 0.386 3 0 "[ . 1 . 2 . 3]" 1 57 1 3 GLY H 1 4 LEU H 3.300 2.600 4.000 2.305 1.820 2.614 0.780 10 4 "[ . + * . *2 - . 3]" 1 58 1 3 GLY H 1 4 LEU QB 5.200 4.200 6.200 4.056 3.662 4.508 0.538 10 2 "[ . + . -2 . 3]" 1 59 1 3 GLY H 1 4 LEU QD 5.300 4.200 6.400 5.013 4.368 5.408 . 0 0 "[ . 1 . 2 . 3]" 1 60 1 3 GLY H 1 5 THR H 4.300 3.400 5.200 3.824 2.733 4.652 0.667 15 5 "[ .* -* *+ 2 . 3]" 1 61 1 3 GLY H 1 6 THR H 4.500 3.600 5.400 4.910 3.415 5.623 0.223 13 0 "[ . 1 . 2 . 3]" 1 62 1 3 GLY H 1 6 THR MG 4.800 3.800 5.800 4.275 2.852 5.124 0.948 14 4 "[ .* 1 +- 2 . * 3]" 1 63 1 3 GLY QA 1 4 LEU H 2.900 2.300 3.500 2.817 2.537 2.915 . 0 0 "[ . 1 . 2 . 3]" 1 64 1 3 GLY QA 1 4 LEU QD 4.200 3.400 5.000 3.093 2.090 4.002 1.310 10 12 "[ **** +- * .* * * * .* 3]" 1 65 1 3 GLY QA 1 5 THR H 3.700 3.000 4.400 3.953 3.815 4.108 . 0 0 "[ . 1 . 2 . 3]" 1 66 1 3 GLY QA 1 7 LEU H 3.500 2.800 4.200 3.268 3.244 3.335 . 0 0 "[ . 1 . 2 . 3]" 1 67 1 3 GLY QA 1 6 THR H 3.800 3.000 4.600 3.498 3.275 3.767 . 0 0 "[ . 1 . 2 . 3]" 1 68 1 3 GLY QA 1 6 THR MG 3.600 2.900 4.300 2.077 1.887 2.283 1.013 28 30 [************************-**+**] 1 69 1 3 GLY QA 1 18 GLY H 3.900 3.100 4.700 5.316 4.978 5.674 0.974 25 25 "[****.** **** ***-***** *+ ****]" 1 70 1 3 GLY QA 1 88 GLY H 4.300 3.400 5.200 5.113 5.056 5.199 . 0 0 "[ . 1 . 2 . 3]" 1 71 1 3 GLY QA 1 145 MET H 3.400 2.700 4.100 5.207 5.043 5.409 1.309 11 30 [**********+******-************] 1 72 1 3 GLY QA 1 9 TRP HE1 3.900 3.100 4.700 4.658 4.411 5.065 0.365 5 0 "[ . 1 . 2 . 3]" 1 73 1 3 GLY QA 1 115 GLY H 3.900 3.100 4.700 5.026 4.788 5.247 0.547 5 1 "[ + 1 . 2 . 3]" 1 74 1 3 GLY QA 1 155 GLY H 3.900 3.100 4.700 5.505 5.024 5.916 1.216 19 25 "[* ***** **** *****+2****.**-**]" 1 75 1 3 GLY QA 1 15 MET H 3.700 3.000 4.400 5.155 5.052 5.217 0.817 30 30 [******************-**********+] 1 76 1 3 GLY QA 1 128 GLY H 4.300 3.400 5.200 5.356 5.310 5.386 0.186 25 0 "[ . 1 . 2 . 3]" 1 77 1 3 GLY QA 1 145 MET H 3.900 3.100 4.700 5.261 5.144 5.406 0.706 30 25 "[ * -. ** ********************+]" 1 78 1 3 GLY QA 1 210 PHE H 3.700 3.000 4.400 5.660 5.607 5.699 1.299 16 30 [***************+-*************] 1 79 1 3 GLY QA 1 98 PHE H 3.100 2.500 3.700 4.200 4.140 4.251 0.551 3 15 "[ *+ * ** 1 - ** *2 * *** **]" 1 80 1 3 GLY QA 1 189 THR H 3.600 2.900 4.300 5.829 4.523 6.032 1.732 16 28 "[************* *+-*********** *]" 1 81 1 3 GLY QA 1 209 GLY H 3.900 3.100 4.700 5.050 4.914 5.171 0.471 20 0 "[ . 1 . 2 . 3]" 1 82 1 3 GLY QA 1 193 ASP H 3.200 2.600 3.800 4.775 4.107 5.072 1.272 8 28 "[*******+**-********** *******]" 1 83 1 4 LEU H 1 4 LEU HA 3.200 2.600 3.800 2.842 2.766 2.864 . 0 0 "[ . 1 . 2 . 3]" 1 84 1 4 LEU H 1 4 LEU QD 3.800 3.000 4.600 3.539 2.893 3.757 0.107 4 0 "[ . 1 . 2 . 3]" 1 85 1 4 LEU H 1 4 LEU QD 3.500 2.800 4.200 3.380 2.835 3.601 . 0 0 "[ . 1 . 2 . 3]" 1 86 1 4 LEU H 1 4 LEU QD 4.200 3.400 4.800 3.372 2.863 3.605 0.537 4 1 "[ +. 1 . 2 . 3]" 1 87 1 4 LEU H 1 4 LEU HG 3.400 2.700 3.500 3.888 2.059 4.537 1.037 22 24 "[* *-*** 1***********+**.*** *]" 1 88 1 4 LEU H 1 5 THR H 3.100 2.700 3.700 2.529 2.473 2.726 0.227 10 0 "[ . 1 . 2 . 3]" 1 89 1 4 LEU H 1 5 THR MG 3.500 2.800 4.200 3.803 3.593 3.990 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 4 LEU H 1 7 LEU H 3.700 3.000 4.400 4.257 3.512 4.809 0.409 14 0 "[ . 1 . 2 . 3]" 1 91 1 4 LEU H 1 7 LEU QD 4.200 3.400 5.000 3.430 3.192 3.600 0.208 11 0 "[ . 1 . 2 . 3]" 1 92 1 4 LEU H 1 231 ASP H 4.100 3.300 4.900 4.163 3.148 4.565 0.152 5 0 "[ . 1 . 2 . 3]" 1 93 1 4 LEU HA 1 4 LEU QD 4.200 3.400 5.000 2.044 1.838 2.202 1.562 22 30 [*********************+-*******] 1 94 1 4 LEU HA 1 4 LEU QD 4.000 3.200 4.800 1.858 1.712 2.033 1.488 3 30 [**+*******-*******************] 1 95 1 4 LEU HA 1 4 LEU QD 3.500 2.800 3.700 1.884 1.710 2.116 1.090 22 30 [*********************+-*******] 1 96 1 4 LEU HA 1 4 LEU HG 3.600 2.900 4.300 3.138 2.931 3.668 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 4 LEU HA 1 4 LEU HG 4.000 3.200 4.800 2.634 2.195 2.762 1.005 30 24 "[ ***** ************2* ** *-*+]" 1 98 1 4 LEU HA 1 5 THR H 3.600 2.900 4.300 3.514 3.505 3.532 . 0 0 "[ . 1 . 2 . 3]" 1 99 1 4 LEU HA 1 6 THR H 4.200 3.400 5.000 4.073 3.896 4.326 . 0 0 "[ . 1 . 2 . 3]" 1 100 1 4 LEU HA 1 7 LEU H . 3.400 4.100 3.706 3.506 3.905 . 0 0 "[ . 1 . 2 . 3]" 1 101 1 4 LEU HA 1 7 LEU QB 4.200 3.400 5.000 3.793 3.495 4.171 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 4 LEU HA 1 8 PHE QD 5.400 4.300 6.500 5.268 4.690 5.614 . 0 0 "[ . 1 . 2 . 3]" 1 103 1 4 LEU HA 1 112 GLY H 4.400 3.500 5.300 5.234 5.059 5.345 0.045 12 0 "[ . 1 . 2 . 3]" 1 104 1 4 LEU HA 1 176 PHE H 4.200 3.400 5.000 5.098 5.048 5.120 0.120 5 0 "[ . 1 . 2 . 3]" 1 105 1 4 LEU HA 1 105 ASN QD 4.300 3.400 5.200 3.765 3.604 4.255 . 0 0 "[ . 1 . 2 . 3]" 1 106 1 4 LEU HA 1 112 GLY H 4.400 3.500 5.300 5.237 5.061 5.348 0.048 12 0 "[ . 1 . 2 . 3]" 1 107 1 4 LEU HA 1 194 VAL HB 4.600 3.700 5.500 3.133 2.801 3.433 0.899 10 17 "[***** -* + * ** *** * *.* 3]" 1 108 1 4 LEU HA 1 194 VAL QG 4.300 3.400 5.200 3.296 2.783 3.583 0.617 11 3 "[ - . 1+ . 2 * . 3]" 1 109 1 4 LEU QB 1 5 THR H 3.300 2.600 4.000 2.662 2.583 2.710 0.017 22 0 "[ . 1 . 2 . 3]" 1 110 1 4 LEU QB 1 5 THR H 3.600 2.900 4.300 2.608 2.531 2.654 0.369 22 0 "[ . 1 . 2 . 3]" 1 111 1 4 LEU QB 1 5 THR H 3.700 3.000 4.400 2.046 1.797 2.242 1.203 25 30 [****************-*******+*****] 1 112 1 4 LEU QB 1 10 LEU H 3.900 3.100 4.700 4.320 3.951 4.449 . 0 0 "[ . 1 . 2 . 3]" 1 113 1 4 LEU QB 1 12 ALA H 4.100 3.300 4.900 3.921 3.527 4.029 . 0 0 "[ . 1 . 2 . 3]" 1 114 1 4 LEU QB 1 17 VAL H 4.000 3.200 4.800 4.600 4.354 5.049 0.249 25 0 "[ . 1 . 2 . 3]" 1 115 1 4 LEU QB 1 69 PHE H 3.700 3.000 4.400 4.999 4.623 5.371 0.971 7 14 "[ **+**1* * . *** * . -**3]" 1 116 1 4 LEU QB 1 220 ARG H 5.700 4.600 6.800 4.905 4.626 5.080 . 0 0 "[ . 1 . 2 . 3]" 1 117 1 4 LEU QB 1 222 GLU H 5.000 4.000 6.000 4.109 3.893 4.301 0.107 3 0 "[ . 1 . 2 . 3]" 1 118 1 4 LEU QB 1 7 LEU H 4.000 3.200 4.800 5.059 4.608 5.301 0.501 14 1 "[ . 1 +. 2 . 3]" 1 119 1 4 LEU QB 1 7 LEU QD 2.900 2.300 3.500 1.931 1.909 1.957 0.391 25 0 "[ . 1 . 2 . 3]" 1 120 1 4 LEU QB 1 9 TRP H 3.800 3.000 4.600 4.319 4.252 4.362 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 4 LEU QB 1 23 ALA H 3.500 2.800 4.200 4.739 4.613 4.964 0.764 8 18 "[ *-*. +*1****.** ** * *** *3]" 1 122 1 4 LEU QB 1 73 TYR H 3.400 2.700 4.100 5.719 5.605 5.787 1.687 6 30 [*****+*******-****************] 1 123 1 4 LEU QB 1 112 GLY H 4.000 3.200 4.800 4.690 4.517 4.773 . 0 0 "[ . 1 . 2 . 3]" 1 124 1 4 LEU QB 1 109 MET H 3.100 2.500 3.700 3.967 3.822 4.108 0.408 25 0 "[ . 1 . 2 . 3]" 1 125 1 4 LEU QB 1 80 THR H 3.600 2.900 4.300 5.011 4.875 5.152 0.852 19 30 [******************+*********-*] 1 126 1 4 LEU QB 1 108 VAL H 3.800 3.000 4.600 3.748 3.173 4.256 . 0 0 "[ . 1 . 2 . 3]" 1 127 1 4 LEU QB 1 202 LEU H 3.900 3.100 4.700 5.708 5.429 5.836 1.136 26 30 [**-**********************+****] 1 128 1 4 LEU QB 1 97 GLU H 4.300 3.400 5.200 4.439 4.194 4.572 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 4 LEU QB 1 103 THR H 3.600 2.900 4.300 5.082 4.959 5.187 0.887 23 30 [-*********************+*******] 1 130 1 4 LEU QB 1 113 PHE H 4.000 3.200 4.800 4.392 4.183 4.607 . 0 0 "[ . 1 . 2 . 3]" 1 131 1 4 LEU QB 1 45 GLY H 4.100 3.300 4.900 4.456 4.293 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 4 LEU QB 1 176 PHE H 4.300 3.400 5.200 4.684 4.342 4.887 . 0 0 "[ . 1 . 2 . 3]" 1 133 1 4 LEU QB 1 148 SER H 4.100 3.300 4.900 4.944 4.261 5.530 0.630 26 1 "[ . 1 . 2 .+ 3]" 1 134 1 4 LEU QB 1 142 VAL H 4.000 3.200 4.800 5.029 3.943 5.944 1.144 6 13 "[ ***+ * -* ** *2 *. **3]" 1 135 1 4 LEU QB 1 60 TRP HZ2 4.600 3.700 5.500 3.641 2.845 4.238 0.855 25 8 "[ **-* ** . 2 + *3]" 1 136 1 4 LEU QB 1 97 GLU QG 4.600 3.700 5.500 3.371 2.870 3.852 0.830 23 6 "[** . * 1 . *- + . 3]" 1 137 1 4 LEU MD1 1 4 LEU MD2 3.400 2.700 4.100 2.087 2.081 2.091 0.619 13 30 [************+*********-*******] 1 138 1 4 LEU QD 1 5 THR H 4.000 3.700 4.800 4.005 3.690 4.151 0.010 22 0 "[ . 1 . 2 . 3]" 1 139 1 4 LEU QD 1 7 LEU H 3.200 2.600 3.800 1.949 1.771 2.214 0.829 30 26 "[*-******** **** ***2******* *+]" 1 140 1 4 LEU QD 1 7 LEU H 4.100 3.300 4.900 2.298 1.964 2.874 1.336 20 29 "[*******************+***-* ****]" 1 141 1 4 LEU MD1 1 4 LEU MD2 3.300 2.600 4.000 1.995 1.718 2.086 0.882 27 30 [*********-****************+***] 1 142 1 4 LEU QD 1 192 VAL H 4.000 3.200 4.800 4.093 3.341 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 143 1 4 LEU QD 1 42 GLY H 4.900 3.900 5.900 4.586 4.460 4.846 . 0 0 "[ . 1 . 2 . 3]" 1 144 1 4 LEU QD 1 72 ARG H 4.500 3.600 5.400 4.079 3.888 4.265 . 0 0 "[ . 1 . 2 . 3]" 1 145 1 4 LEU QD 1 208 PHE H 4.900 3.900 5.900 4.065 3.478 4.413 0.422 5 0 "[ . 1 . 2 . 3]" 1 146 1 4 LEU QD 1 209 GLY H 4.900 3.900 5.900 4.327 3.800 4.581 0.100 23 0 "[ . 1 . 2 . 3]" 1 147 1 4 LEU QD 1 210 PHE H 4.700 3.800 5.600 4.466 3.770 4.697 0.030 23 0 "[ . 1 . 2 . 3]" 1 148 1 4 LEU QD 1 82 LEU H 3.600 2.900 4.300 4.367 4.195 4.617 0.317 23 0 "[ . 1 . 2 . 3]" 1 149 1 4 LEU QD 1 206 VAL H 4.200 3.400 5.000 3.537 3.362 3.661 0.038 8 0 "[ . 1 . 2 . 3]" 1 150 1 4 LEU QD 1 207 GLY H 5.200 4.200 6.200 4.658 4.141 4.835 0.059 8 0 "[ . 1 . 2 . 3]" 1 151 1 4 LEU QD 1 73 TYR H 3.700 3.000 4.400 4.279 4.162 4.396 . 0 0 "[ . 1 . 2 . 3]" 1 152 1 4 LEU QD 1 80 THR H 3.800 3.000 4.600 4.443 4.093 4.562 . 0 0 "[ . 1 . 2 . 3]" 1 153 1 4 LEU QD 1 191 THR HB 4.400 3.500 5.300 2.715 2.083 3.278 1.417 10 24 "[*****-* *+****** * * ***.*** *]" 1 154 1 4 LEU QD 1 194 VAL H 3.400 2.700 4.100 4.053 3.373 4.371 0.271 13 0 "[ . 1 . 2 . 3]" 1 155 1 4 LEU QD 1 194 VAL HB 4.400 3.500 5.300 2.815 1.937 3.285 1.563 11 20 "[* - .*** 1+ ******** ***** *]" 1 156 1 4 LEU QD 1 194 VAL QG 3.900 3.100 4.700 1.893 1.630 2.204 1.470 25 30 [********-***************+*****] 1 157 1 4 LEU QD 1 8 PHE QD 5.900 4.700 7.100 4.376 3.369 5.214 1.331 22 9 "[* . 1* . * 2 +**.** -]" 1 158 1 4 LEU QD 1 8 PHE QE 4.000 3.200 4.300 2.140 1.806 2.736 1.394 22 29 [*-**.****************+********] 1 159 1 4 LEU QD 1 60 TRP HH2 4.700 4.600 5.600 2.401 1.988 3.014 2.612 20 30 [*******************+*****-****] 1 160 1 4 LEU QD 1 60 TRP HH2 3.600 2.900 4.300 2.311 1.968 2.971 0.932 20 21 "[*** .***** * *.* **+*** - ***3]" 1 161 1 4 LEU QD 1 60 TRP HZ2 5.500 4.400 6.600 3.499 2.918 4.045 1.482 27 28 "[* * -*********************+***]" 1 162 1 4 LEU QD 1 60 TRP HZ3 4.900 4.700 5.900 3.121 2.542 4.506 2.158 2 29 "[*+*******************-*** ****]" 1 163 1 4 LEU QD 1 69 PHE QE 5.400 4.300 6.500 2.570 2.154 2.818 2.146 6 30 [*****+*******************-****] 1 164 1 4 LEU QD 1 69 PHE HZ 4.700 3.800 5.600 2.290 1.966 3.447 1.834 7 29 "[******+************** ***-****]" 1 165 1 4 LEU QD 1 69 PHE QE 4.400 4.300 5.300 3.107 2.654 4.038 1.646 11 29 "[**********+********** ***-****]" 1 166 1 4 LEU QD 1 69 PHE HZ 4.400 3.500 5.300 2.323 1.976 3.797 1.524 13 28 "[****-*******+******** *** ****]" 1 167 1 4 LEU QD 1 107 VAL H 4.500 3.600 5.400 3.789 3.534 4.018 0.066 14 0 "[ . 1 . 2 . 3]" 1 168 1 4 LEU QD 1 191 THR H 4.600 3.700 4.900 3.546 2.776 4.423 0.924 4 8 "[ * +* ** .- 2 * * 3]" 1 169 1 4 LEU QD 1 191 THR HB 5.100 4.100 6.100 3.175 2.095 4.228 2.005 10 20 "[ ****** *+* **-* * * ***.* * 3]" 1 170 1 4 LEU QD 1 191 THR MG 4.200 3.400 5.000 2.856 1.872 3.975 1.528 28 18 "[* .****1** * * *2* *** *+*-]" 1 171 1 4 LEU QD 1 194 VAL H 3.900 3.100 4.700 4.354 3.794 4.643 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 4 LEU QD 1 194 VAL QG 4.600 3.700 5.500 2.245 1.754 2.839 1.946 25 30 [***-********************+*****] 1 173 1 4 LEU HG 1 5 THR H 3.700 3.000 4.400 4.127 3.682 5.122 0.722 26 2 "[ . 1 . 2 - .+ 3]" 1 174 1 4 LEU HG 1 184 GLY H 4.100 3.300 4.900 4.769 4.278 5.148 0.248 22 0 "[ . 1 . 2 . 3]" 1 175 1 4 LEU HG 1 49 VAL H 3.800 3.000 4.600 5.732 5.536 5.931 1.331 28 30 [***************-***********+**] 1 176 1 4 LEU HG 1 50 ALA H 3.900 3.100 4.700 5.910 5.785 5.982 1.282 11 30 [**********+***************-***] 1 177 1 4 LEU HG 1 189 THR H 3.400 2.700 4.100 5.452 4.772 5.684 1.584 30 30 [****************************-+] 1 178 1 4 LEU HG 1 70 VAL H 4.000 3.200 4.800 5.875 4.887 5.959 1.159 19 29 "[******************+*******- **]" 1 179 1 4 LEU HG 1 171 TRP H 3.600 2.900 4.300 5.641 5.063 5.885 1.585 11 30 [**********+******************-] 1 180 1 4 LEU HG 1 176 PHE H 3.800 3.000 4.600 4.641 4.450 4.860 0.260 24 0 "[ . 1 . 2 . 3]" 1 181 1 4 LEU HG 1 8 PHE QE 4.800 3.800 5.800 2.969 1.969 4.976 1.831 11 20 "[* .*** 1+**-******* **. ** *]" 1 182 1 4 LEU HG 1 82 LEU H 3.200 2.600 3.800 5.306 5.047 5.442 1.642 18 30 [****-************+************] 1 183 1 4 LEU HG 1 100 ILE H 4.600 3.700 5.500 4.451 4.299 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 4 LEU HG 1 85 TYR H 3.600 2.900 4.300 4.826 4.646 4.945 0.645 17 17 "[* **. ***1 * *-+*** * ** *]" 1 185 1 4 LEU HG 1 42 GLY H 4.300 3.400 5.200 4.355 4.249 4.450 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 4 LEU HG 1 60 TRP HH2 3.500 2.800 4.200 3.484 2.704 3.923 0.096 18 0 "[ . 1 . 2 . 3]" 1 187 1 4 LEU HG 1 69 PHE HZ 5.000 4.000 6.000 4.671 3.695 5.961 0.305 26 0 "[ . 1 . 2 . 3]" 1 188 1 5 THR H 1 5 THR HB 3.700 3.000 3.800 3.612 3.602 3.621 . 0 0 "[ . 1 . 2 . 3]" 1 189 1 5 THR H 1 5 THR MG 3.400 2.700 4.100 2.060 1.890 2.204 0.810 3 29 "[**+** *********************-**]" 1 190 1 5 THR H 1 6 THR H 3.400 2.800 4.100 2.684 2.569 2.813 0.231 11 0 "[ . 1 . 2 . 3]" 1 191 1 5 THR H 1 7 LEU H 3.500 2.800 4.200 3.509 3.141 3.866 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 5 THR H 1 8 PHE QD 4.500 3.600 5.400 4.383 3.965 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 193 1 5 THR H 1 8 PHE QD 5.500 4.400 6.600 3.825 3.627 4.004 0.773 3 24 "[**+**** * * ***-*2**********]" 1 194 1 5 THR H 1 9 TRP HE1 4.000 3.200 4.800 5.509 5.323 5.740 0.940 5 30 [****+*****************-*******] 1 195 1 5 THR HA 1 5 THR MG 4.300 3.400 5.200 2.375 2.317 2.434 1.083 6 30 [*****+**-*********************] 1 196 1 5 THR HA 1 6 THR H 4.300 3.400 5.200 3.503 3.483 3.534 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 5 THR HA 1 9 TRP H 3.200 2.600 3.800 3.346 3.248 3.477 . 0 0 "[ . 1 . 2 . 3]" 1 198 1 5 THR HA 1 9 TRP HE1 3.100 2.500 3.700 4.325 4.173 4.592 0.892 2 27 "[*+**-** ***************** ***]" 1 199 1 5 THR HA 1 8 PHE H 3.200 2.600 3.800 3.498 3.411 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 200 1 5 THR HA 1 8 PHE QD 4.500 4.200 5.400 1.880 1.721 2.100 2.479 29 30 [*********-******************+*] 1 201 1 5 THR HA 1 55 ALA MB 5.200 4.200 6.200 3.693 3.249 4.200 0.951 29 16 "[ **** -**** .* *2 **** +3]" 1 202 1 5 THR HA 1 55 ALA MB 4.500 3.600 5.400 3.371 3.105 3.600 0.495 29 0 "[ . 1 . 2 . 3]" 1 203 1 5 THR HA 1 60 TRP HH2 5.200 4.200 6.200 3.221 2.766 3.389 1.434 6 30 [*****+****************-*******] 1 204 1 5 THR HB 1 6 THR H 3.700 3.000 4.400 3.859 3.726 3.972 . 0 0 "[ . 1 . 2 . 3]" 1 205 1 5 THR HB 1 6 THR HA 4.700 3.800 5.600 4.537 4.420 4.671 . 0 0 "[ . 1 . 2 . 3]" 1 206 1 5 THR HB 1 8 PHE QD 5.200 4.200 6.200 2.758 2.609 2.856 1.591 29 30 [**************************-*+*] 1 207 1 5 THR HB 1 55 ALA H 4.000 3.200 4.800 5.046 4.882 5.250 0.450 9 0 "[ . 1 . 2 . 3]" 1 208 1 5 THR HB 1 9 TRP HD1 4.200 3.400 5.000 3.223 2.845 3.587 0.555 24 1 "[ . 1 . 2 +. 3]" 1 209 1 5 THR HB 1 9 TRP HE1 3.100 2.500 3.700 2.872 2.590 3.280 . 0 0 "[ . 1 . 2 . 3]" 1 210 1 5 THR HB 1 18 GLY H 4.300 3.400 5.200 5.231 5.171 5.310 0.110 28 0 "[ . 1 . 2 . 3]" 1 211 1 5 THR MG 1 6 THR H 3.700 3.000 4.400 3.716 3.640 3.777 . 0 0 "[ . 1 . 2 . 3]" 1 212 1 5 THR MG 1 6 THR H 3.500 2.800 4.200 2.841 2.404 3.216 0.396 7 0 "[ . 1 . 2 . 3]" 1 213 1 5 THR MG 1 55 ALA H 3.300 2.600 4.000 4.179 4.054 4.335 0.335 20 0 "[ . 1 . 2 . 3]" 1 214 1 5 THR MG 1 22 PHE H 3.600 2.900 4.300 4.685 4.280 4.822 0.522 16 1 "[ . 1 .+ 2 . 3]" 1 215 1 5 THR MG 1 23 ALA H 3.900 3.100 4.700 4.774 4.392 4.934 0.234 17 0 "[ . 1 . 2 . 3]" 1 216 1 5 THR MG 1 60 TRP HE1 3.700 3.000 4.400 4.548 4.041 4.942 0.542 14 2 "[ . 1 +. 2 -. 3]" 1 217 1 5 THR MG 1 217 ALA H 4.600 3.700 5.500 4.167 4.077 4.264 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 5 THR MG 1 218 THR H 4.300 3.400 5.200 3.987 3.827 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 5 THR MG 1 198 VAL H 3.900 3.100 4.700 4.417 4.219 4.639 . 0 0 "[ . 1 . 2 . 3]" 1 220 1 5 THR MG 1 116 ALA H 4.700 3.800 5.600 5.217 4.717 5.635 0.035 30 0 "[ . 1 . 2 . 3]" 1 221 1 5 THR MG 1 67 THR H 2.800 2.200 3.400 4.736 4.489 5.051 1.651 24 30 [***********************+****-*] 1 222 1 5 THR MG 1 221 ALA H 4.400 3.500 5.300 4.472 4.207 4.789 . 0 0 "[ . 1 . 2 . 3]" 1 223 1 5 THR MG 1 68 VAL H 3.700 3.000 4.400 3.699 3.081 4.023 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 5 THR MG 1 8 PHE H 4.200 3.400 5.000 3.663 3.229 4.216 0.171 2 0 "[ . 1 . 2 . 3]" 1 225 1 5 THR MG 1 8 PHE QD 4.400 3.500 5.300 3.686 3.458 3.924 0.042 6 0 "[ . 1 . 2 . 3]" 1 226 1 5 THR MG 1 8 PHE QE 5.000 4.000 6.000 4.044 3.726 4.437 0.274 6 0 "[ . 1 . 2 . 3]" 1 227 1 5 THR MG 1 9 TRP H 5.200 4.200 6.200 5.819 5.650 5.984 . 0 0 "[ . 1 . 2 . 3]" 1 228 1 5 THR MG 1 9 TRP H 3.600 2.900 4.300 4.409 4.244 4.778 0.478 11 0 "[ . 1 . 2 . 3]" 1 229 1 5 THR MG 1 9 TRP HD1 3.800 3.800 4.600 4.662 4.396 4.975 0.375 16 0 "[ . 1 . 2 . 3]" 1 230 1 5 THR MG 1 9 TRP HE1 3.400 2.700 4.100 4.096 3.808 4.517 0.417 16 0 "[ . 1 . 2 . 3]" 1 231 1 5 THR MG 1 9 TRP HZ2 3.300 2.600 4.000 5.627 5.305 5.994 1.994 16 30 [*******-*******+**************] 1 232 1 5 THR MG 1 217 ALA H 5.000 4.000 6.000 4.987 4.661 5.229 . 0 0 "[ . 1 . 2 . 3]" 1 233 1 5 THR MG 1 114 ALA H 4.400 3.500 5.300 4.777 4.210 4.982 . 0 0 "[ . 1 . 2 . 3]" 1 234 1 5 THR MG 1 55 ALA HA 3.900 3.100 4.700 3.186 2.630 3.532 0.470 29 0 "[ . 1 . 2 . 3]" 1 235 1 5 THR MG 1 55 ALA MB 4.500 3.600 5.400 3.939 3.589 4.222 0.011 19 0 "[ . 1 . 2 . 3]" 1 236 1 5 THR MG 1 55 ALA MB 4.400 3.500 5.300 3.643 3.422 3.814 0.078 19 0 "[ . 1 . 2 . 3]" 1 237 1 5 THR MG 1 56 LEU QD 3.100 2.500 3.700 1.936 1.891 1.951 0.609 28 30 [***************-***********+**] 1 238 1 5 THR MG 1 60 TRP HZ2 4.600 3.700 5.500 2.931 2.425 3.398 1.275 7 23 "[*-**.*+**1*** *****2* *** ***]" 1 239 1 6 THR H 1 6 THR HB . 3.400 3.700 3.605 3.584 3.618 . 0 0 "[ . 1 . 2 . 3]" 1 240 1 6 THR H 1 6 THR MG . 3.900 4.400 1.859 1.756 2.022 2.144 28 30 [**-************************+**] 1 241 1 6 THR H 1 7 LEU H 3.500 2.800 4.100 2.762 2.696 2.816 0.104 16 0 "[ . 1 . 2 . 3]" 1 242 1 6 THR H 1 7 LEU QD 4.500 3.600 5.400 3.531 3.378 3.848 0.222 4 0 "[ . 1 . 2 . 3]" 1 243 1 6 THR H 1 8 PHE H 4.100 3.300 4.900 4.615 4.482 4.694 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 6 THR H 1 8 PHE QD 4.800 3.800 5.800 4.693 4.418 4.868 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 6 THR H 1 9 TRP H 3.600 2.900 4.300 4.301 4.243 4.353 0.053 7 0 "[ . 1 . 2 . 3]" 1 246 1 6 THR H 1 9 TRP HD1 4.000 3.200 4.800 3.746 3.523 4.000 . 0 0 "[ . 1 . 2 . 3]" 1 247 1 6 THR H 1 9 TRP HE1 3.800 3.000 4.600 5.464 5.215 5.893 1.293 2 30 [*+*****-**********************] 1 248 1 6 THR H 1 25 ALA H 4.300 3.400 5.200 5.143 5.051 5.209 0.009 5 0 "[ . 1 . 2 . 3]" 1 249 1 6 THR H 1 179 LEU H 4.400 3.500 5.300 5.143 4.604 5.247 . 0 0 "[ . 1 . 2 . 3]" 1 250 1 6 THR HA 1 7 LEU H 4.000 3.200 4.800 3.517 3.505 3.540 . 0 0 "[ . 1 . 2 . 3]" 1 251 1 6 THR HA 1 9 TRP H 4.400 3.500 5.300 3.451 3.339 3.613 0.161 23 0 "[ . 1 . 2 . 3]" 1 252 1 6 THR HA 1 9 TRP QB 4.400 3.500 5.300 2.400 2.229 2.700 1.271 23 30 [****-*****************+*******] 1 253 1 6 THR HA 1 9 TRP HD1 4.100 3.300 4.800 2.188 1.957 2.579 1.343 27 30 [************************-*+***] 1 254 1 6 THR HA 1 10 LEU H 4.200 3.400 5.000 4.150 3.836 4.537 . 0 0 "[ . 1 . 2 . 3]" 1 255 1 6 THR HA 1 151 GLN QE 2.900 2.300 3.500 2.982 1.930 3.484 0.370 5 0 "[ . 1 . 2 . 3]" 1 256 1 6 THR HA 1 153 SER H 2.800 2.200 3.400 4.595 4.293 4.983 1.583 15 30 [**************+**************-] 1 257 1 6 THR HB 1 7 LEU H . 3.200 3.700 3.893 3.743 3.964 0.264 28 0 "[ . 1 . 2 . 3]" 1 258 1 6 THR HB 1 10 LEU QD 4.400 3.500 5.300 3.502 3.098 3.888 0.402 24 0 "[ . 1 . 2 . 3]" 1 259 1 6 THR HB 1 14 GLY H 4.800 3.800 5.800 5.264 5.189 5.360 . 0 0 "[ . 1 . 2 . 3]" 1 260 1 6 THR HB 1 214 ASP H 4.200 3.400 5.000 5.303 5.122 5.405 0.405 26 0 "[ . 1 . 2 . 3]" 1 261 1 6 THR HB 1 148 SER H 3.800 3.000 4.600 5.312 4.677 6.020 1.420 30 20 "[**- * * *1 ** .*** ******** +]" 1 262 1 6 THR HB 1 186 ALA H 4.500 3.600 5.400 5.282 5.143 5.411 0.011 10 0 "[ . 1 . 2 . 3]" 1 263 1 6 THR HB 1 102 ILE H 3.600 2.900 4.300 4.821 4.694 4.922 0.622 25 20 "[ *. ***1 **** **** ** +-****]" 1 264 1 6 THR HB 1 206 VAL H 3.700 3.000 4.400 5.813 5.425 6.041 1.641 25 30 [**********************-*+*****] 1 265 1 6 THR HB 1 105 ASN H 3.700 3.000 4.400 4.468 4.341 4.633 0.233 28 0 "[ . 1 . 2 . 3]" 1 266 1 6 THR MG 1 7 LEU H 3.600 2.900 4.300 3.745 3.642 3.906 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 6 THR MG 1 8 PHE H 3.800 3.000 4.600 5.525 5.431 5.625 1.025 25 30 [************************+-****] 1 268 1 6 THR MG 1 9 TRP H . 4.300 5.300 5.267 5.181 5.382 0.082 5 0 "[ . 1 . 2 . 3]" 1 269 1 6 THR MG 1 9 TRP HD1 5.000 4.000 6.000 3.543 3.365 3.790 0.635 23 10 "[ * .* 1 .* * ***+ . * -]" 1 270 1 6 THR MG 1 9 TRP HE1 4.100 3.300 4.900 5.098 4.847 5.462 0.562 25 2 "[ - . 1 . 2 + 3]" 1 271 1 6 THR MG 1 171 TRP HE1 4.700 3.800 5.600 5.035 4.746 5.297 . 0 0 "[ . 1 . 2 . 3]" 1 272 1 6 THR MG 1 47 ALA H 4.100 3.300 4.900 4.361 4.204 4.572 . 0 0 "[ . 1 . 2 . 3]" 1 273 1 6 THR MG 1 53 VAL H 3.900 3.100 4.700 4.723 4.534 4.874 0.174 29 0 "[ . 1 . 2 . 3]" 1 274 1 6 THR MG 1 54 MET H 3.200 2.600 3.800 4.481 4.379 4.597 0.797 13 30 [************+**********-******] 1 275 1 6 THR MG 1 55 ALA H 3.700 3.000 4.400 5.943 5.882 5.989 1.589 13 30 [************+**-**************] 1 276 1 6 THR MG 1 82 LEU H 4.200 3.400 5.000 5.198 5.073 5.284 0.284 11 0 "[ . 1 . 2 . 3]" 1 277 1 6 THR MG 1 204 THR H 4.500 3.600 5.400 5.138 4.370 5.278 . 0 0 "[ . 1 . 2 . 3]" 1 278 1 6 THR MG 1 112 GLY H 3.900 3.100 4.700 5.071 4.830 5.323 0.623 6 6 "[ * .+ - 1 *. *2 . *]" 1 279 1 6 THR MG 1 139 TYR H 4.600 3.700 5.500 5.582 5.552 5.640 0.140 26 0 "[ . 1 . 2 . 3]" 1 280 1 6 THR MG 1 76 TRP H 3.600 2.900 4.300 4.469 4.303 4.774 0.474 19 0 "[ . 1 . 2 . 3]" 1 281 1 7 LEU H 1 7 LEU HA 3.200 2.600 3.800 2.795 2.779 2.815 . 0 0 "[ . 1 . 2 . 3]" 1 282 1 7 LEU H 1 7 LEU QB 2.900 2.300 3.500 2.272 2.164 2.363 0.136 20 0 "[ . 1 . 2 . 3]" 1 283 1 7 LEU H 1 7 LEU QD 3.700 3.000 4.400 1.953 1.773 2.223 1.227 30 30 [*******************-*********+] 1 284 1 7 LEU H 1 7 LEU HG 3.900 3.100 4.700 3.871 3.681 3.978 . 0 0 "[ . 1 . 2 . 3]" 1 285 1 7 LEU H 1 8 PHE H 3.600 2.900 3.700 2.834 2.760 2.886 0.140 2 0 "[ . 1 . 2 . 3]" 1 286 1 7 LEU H 1 8 PHE QD 4.300 3.400 5.200 4.042 3.862 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 287 1 7 LEU H 1 8 PHE QE 4.100 3.300 4.900 5.075 4.907 5.208 0.308 6 0 "[ . 1 . 2 . 3]" 1 288 1 7 LEU H 1 134 PHE H 3.900 3.100 4.700 5.976 5.922 6.005 1.305 26 30 [************-************+****] 1 289 1 7 LEU H 1 137 LEU H 4.300 3.400 5.200 5.843 5.688 5.955 0.755 3 29 [**+*******-********2**********] 1 290 1 7 LEU H 1 204 THR H 4.500 3.600 5.400 4.748 4.665 4.844 . 0 0 "[ . 1 . 2 . 3]" 1 291 1 7 LEU H 1 10 LEU QD 4.300 3.400 5.200 4.319 4.109 4.642 . 0 0 "[ . 1 . 2 . 3]" 1 292 1 7 LEU H 1 85 TYR H 3.800 3.000 4.600 5.565 5.136 5.840 1.240 9 30 [********+***-*****************] 1 293 1 7 LEU H 1 204 THR H 4.400 3.500 5.300 4.763 4.674 4.860 . 0 0 "[ . 1 . 2 . 3]" 1 294 1 7 LEU H 1 148 SER H 4.300 3.400 5.200 4.896 4.611 5.178 . 0 0 "[ . 1 . 2 . 3]" 1 295 1 7 LEU H 1 214 ASP H 5.200 4.200 6.200 4.825 4.370 5.195 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 7 LEU H 1 213 LEU H 4.700 3.800 5.600 4.897 4.710 5.192 . 0 0 "[ . 1 . 2 . 3]" 1 297 1 7 LEU H 1 203 VAL H 4.100 3.300 4.900 5.398 5.285 5.470 0.570 21 15 "[ * *.****1 *-***2+** . *]" 1 298 1 7 LEU H 1 194 VAL QG 4.000 3.200 4.800 4.971 4.379 5.592 0.792 16 5 "[ * 1 * .+ - . * 3]" 1 299 1 7 LEU HA 1 7 LEU QD 2.800 2.200 3.400 1.758 1.706 1.906 0.494 9 0 "[ . 1 . 2 . 3]" 1 300 1 7 LEU HA 1 8 PHE HA 4.500 3.600 5.400 4.468 4.382 4.571 . 0 0 "[ . 1 . 2 . 3]" 1 301 1 7 LEU HA 1 9 TRP H 3.700 3.000 4.400 3.914 3.787 4.060 . 0 0 "[ . 1 . 2 . 3]" 1 302 1 7 LEU HA 1 10 LEU H 4.000 3.200 4.800 2.958 2.876 3.075 0.324 17 0 "[ . 1 . 2 . 3]" 1 303 1 7 LEU HA 1 10 LEU H 4.000 3.200 4.800 3.174 3.117 3.262 0.083 16 0 "[ . 1 . 2 . 3]" 1 304 1 7 LEU HA 1 11 GLY H 4.000 3.200 4.800 4.339 4.130 4.595 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 7 LEU QB 1 7 LEU QD 3.200 2.600 3.800 1.930 1.795 1.986 0.805 22 30 [************-********+********] 1 306 1 7 LEU QB 1 16 LEU H 3.200 2.600 3.800 4.480 4.283 4.659 0.859 5 28 "[****+ ****-********* *********]" 1 307 1 7 LEU QB 1 54 MET H 3.100 2.500 3.700 4.910 4.769 5.096 1.396 20 30 [******************-+**********] 1 308 1 7 LEU QB 1 201 ASP H 3.600 2.900 4.300 4.461 4.303 4.761 0.461 30 0 "[ . 1 . 2 . 3]" 1 309 1 7 LEU QB 1 192 VAL H 4.300 3.400 5.200 4.921 4.717 5.155 . 0 0 "[ . 1 . 2 . 3]" 1 310 1 7 LEU QB 1 36 TYR QE 4.900 3.900 5.900 2.176 1.899 2.355 2.001 3 30 [*-+***************************] 1 311 1 7 LEU QB 1 194 VAL QG 5.500 4.400 6.600 2.614 2.142 3.186 2.258 14 30 [*************+*-**************] 1 312 1 7 LEU QD 1 8 PHE H 3.500 2.800 4.200 3.418 3.318 3.557 . 0 0 "[ . 1 . 2 . 3]" 1 313 1 7 LEU QD 1 10 LEU H 4.100 3.300 4.900 3.256 2.264 3.693 1.036 11 4 "[ . 1+ . * . -* 3]" 1 314 1 7 LEU QD 1 156 ILE H 4.700 3.800 5.600 4.049 3.474 4.681 0.326 18 0 "[ . 1 . 2 . 3]" 1 315 1 7 LEU QD 1 205 . H 4.200 3.400 5.000 4.145 3.772 4.330 . 0 0 "[ . 1 . 2 . 3]" 1 316 1 7 LEU QD 1 204 THR H 4.800 3.800 5.800 4.432 4.357 4.654 . 0 0 "[ . 1 . 2 . 3]" 1 317 1 7 LEU QD 1 222 GLU H 5.600 4.500 6.700 5.118 4.649 5.329 . 0 0 "[ . 1 . 2 . 3]" 1 318 1 7 LEU QD 1 120 GLY H 5.500 4.400 6.600 5.679 5.331 5.841 . 0 0 "[ . 1 . 2 . 3]" 1 319 1 7 LEU QD 1 107 VAL H 3.100 2.500 3.700 1.923 1.690 2.189 0.810 28 16 "[* **.*** ***-*. * ** * + 3]" 1 320 1 7 LEU QD 1 192 VAL HA 4.200 3.400 5.000 3.956 3.394 4.292 0.006 11 0 "[ . 1 . 2 . 3]" 1 321 1 7 LEU QD 1 194 VAL QG 4.400 3.500 5.300 3.129 2.086 3.758 1.414 28 7 "[* . 1* . * -**+ 3]" 1 322 1 7 LEU QD 1 194 VAL QG 4.600 3.700 5.500 3.107 2.085 3.700 1.615 28 17 "[* * . * 1* *. * *** *-***+**]" 1 323 1 7 LEU QD 1 195 ALA HA 3.700 3.000 4.400 2.184 1.757 2.537 1.243 30 28 "[****.*-******** *************+]" 1 324 1 7 LEU QD 1 195 ALA MB 3.700 3.200 4.400 2.147 1.936 2.497 1.264 11 30 [**********+****-**************] 1 325 1 7 LEU QD 1 196 LEU H 3.500 2.800 4.200 2.983 2.135 3.118 0.665 22 2 "[ . 1 . 2 + . - 3]" 1 326 1 8 PHE H 1 8 PHE HA 3.200 2.600 3.800 2.805 2.778 2.827 . 0 0 "[ . 1 . 2 . 3]" 1 327 1 8 PHE H 1 8 PHE QD 3.500 2.800 4.200 2.323 2.151 2.615 0.649 27 15 "[* - * *1 *** ** 2** *. +* *]" 1 328 1 8 PHE H 1 8 PHE QE 4.100 3.300 4.900 4.010 3.930 4.079 . 0 0 "[ . 1 . 2 . 3]" 1 329 1 8 PHE H 1 9 TRP H 3.300 2.600 4.000 2.648 2.582 2.723 0.018 26 0 "[ . 1 . 2 . 3]" 1 330 1 8 PHE H 1 9 TRP H 3.500 2.800 4.200 2.614 2.554 2.679 0.246 26 0 "[ . 1 . 2 . 3]" 1 331 1 8 PHE H 1 10 LEU H 3.400 2.700 4.100 4.295 4.190 4.408 0.308 25 0 "[ . 1 . 2 . 3]" 1 332 1 8 PHE H 1 130 GLY H 4.200 3.400 5.000 5.812 5.567 5.917 0.917 5 30 [****+********************-****] 1 333 1 8 PHE H 1 131 ALA H 3.900 3.100 4.700 5.862 5.789 5.920 1.220 9 30 [********+***********-*********] 1 334 1 8 PHE H 1 178 TRP HE1 4.100 3.300 4.900 5.419 5.080 5.748 0.848 21 15 "[* ** -*** **** 2+** * 3]" 1 335 1 8 PHE H 1 55 ALA MB 4.000 3.200 4.800 3.995 3.859 4.333 . 0 0 "[ . 1 . 2 . 3]" 1 336 1 8 PHE H 1 55 ALA MB 4.700 3.800 5.600 3.670 3.584 3.803 0.216 12 0 "[ . 1 . 2 . 3]" 1 337 1 8 PHE H 1 194 VAL QG 4.200 3.400 5.000 4.346 3.771 4.806 . 0 0 "[ . 1 . 2 . 3]" 1 338 1 8 PHE HA 1 8 PHE QD 4.700 3.800 5.600 2.767 2.633 2.864 1.167 29 30 [**************-*************+*] 1 339 1 8 PHE HA 1 9 TRP H 3.200 2.600 3.800 2.716 2.706 2.725 . 0 0 "[ . 1 . 2 . 3]" 1 340 1 8 PHE HA 1 10 LEU H 4.600 3.700 4.700 3.399 3.358 3.442 0.342 2 0 "[ . 1 . 2 . 3]" 1 341 1 8 PHE HA 1 11 GLY H 3.900 3.100 4.700 3.301 3.121 3.498 . 0 0 "[ . 1 . 2 . 3]" 1 342 1 8 PHE HA 1 12 ALA H 3.400 2.700 4.100 3.280 3.191 3.394 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 8 PHE HA 1 52 ALA H 5.000 4.000 6.000 5.533 5.392 5.598 . 0 0 "[ . 1 . 2 . 3]" 1 344 1 8 PHE HA 1 55 ALA MB 4.500 3.600 5.400 3.119 2.803 3.311 0.797 2 12 "[*+* .- * * * ** 2** . * 3]" 1 345 1 8 PHE HA 1 12 ALA H 4.900 3.900 5.900 4.283 3.996 4.456 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 8 PHE HA 1 51 TYR QE 5.400 4.300 6.500 4.083 3.584 4.466 0.716 26 4 "[ . *1 . 2-* .+ 3]" 1 347 1 8 PHE QD 1 9 TRP H 3.900 3.100 4.700 3.943 3.888 4.053 . 0 0 "[ . 1 . 2 . 3]" 1 348 1 8 PHE QD 1 18 GLY H 4.700 3.800 5.600 4.862 4.694 5.132 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 8 PHE QD 1 55 ALA MB 4.500 3.600 5.400 3.197 2.914 3.348 0.686 29 5 "[ -.* * 1 * . 2 . +3]" 1 350 1 8 PHE QD 1 10 LEU H 5.000 4.000 6.000 5.688 5.424 5.842 . 0 0 "[ . 1 . 2 . 3]" 1 351 1 8 PHE QD 1 12 ALA H 4.200 3.400 5.000 5.146 4.296 5.472 0.472 5 0 "[ . 1 . 2 . 3]" 1 352 1 8 PHE QD 1 70 VAL H 4.400 3.500 5.300 4.429 3.989 4.714 . 0 0 "[ . 1 . 2 . 3]" 1 353 1 8 PHE QD 1 105 ASN QD 4.700 3.800 5.600 4.691 4.356 4.883 . 0 0 "[ . 1 . 2 . 3]" 1 354 1 8 PHE QD 1 113 PHE H 4.300 3.400 5.200 5.744 5.631 5.815 0.615 23 28 "[************* * ******+**-****]" 1 355 1 8 PHE QD 1 117 MET H 3.900 3.100 4.700 5.877 5.683 5.983 1.283 26 30 [**********************-**+****] 1 356 1 8 PHE QD 1 139 TYR H 4.900 3.900 5.900 5.009 4.768 5.183 . 0 0 "[ . 1 . 2 . 3]" 1 357 1 8 PHE QD 1 201 ASP H 4.800 3.800 5.800 5.116 4.862 5.284 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 8 PHE QD 1 40 LEU QD 5.100 4.100 6.100 2.418 2.191 2.526 1.909 21 30 [********-***********+*********] 1 359 1 8 PHE QD 1 44 SER H 4.100 3.300 4.900 4.350 3.910 4.773 . 0 0 "[ . 1 . 2 . 3]" 1 360 1 8 PHE QD 1 51 TYR HA 5.000 4.000 6.000 2.828 2.719 3.042 1.281 30 30 [****************************-+] 1 361 1 8 PHE QD 1 54 MET ME 4.600 3.700 5.500 1.987 1.760 2.457 1.940 21 30 [***-****************+*********] 1 362 1 8 PHE QD 1 198 VAL QG 5.300 4.200 6.400 1.912 1.752 2.325 2.448 22 30 [-********************+********] 1 363 1 8 PHE QD 1 52 ALA H 5.000 4.000 6.000 6.058 6.022 6.119 0.119 12 0 "[ . 1 . 2 . 3]" 1 364 1 8 PHE QD 1 54 MET H 4.100 3.300 4.900 5.018 4.757 5.476 0.576 29 2 "[ . 1 - . 2 . +3]" 1 365 1 8 PHE QD 1 55 ALA H 3.600 2.900 4.300 4.230 4.105 4.450 0.150 5 0 "[ . 1 . 2 . 3]" 1 366 1 8 PHE QD 1 55 ALA HA 4.900 3.900 5.900 2.644 2.365 2.830 1.535 29 30 [**************-*************+*] 1 367 1 8 PHE QD 1 55 ALA MB 6.000 4.800 7.200 3.399 2.998 3.651 1.802 29 30 [***************************-+*] 1 368 1 8 PHE QD 1 60 TRP HE1 3.100 2.500 3.700 2.563 2.558 2.567 . 0 0 "[ . 1 . 2 . 3]" 1 369 1 8 PHE QD 1 60 TRP HH2 5.800 4.600 7.000 3.392 3.110 3.767 1.490 17 30 [*****-**********+*************] 1 370 1 8 PHE QD 1 60 TRP HZ2 4.900 3.900 5.900 3.525 3.140 4.029 0.760 13 9 "[ * .* 1* + * - 2 * *. *]" 1 371 1 8 PHE QD 1 73 TYR QB 5.000 4.000 6.000 3.150 2.893 3.590 1.107 18 29 "[********-**** ***+************]" 1 372 1 8 PHE QD 1 194 VAL QG 6.400 5.100 7.700 3.970 3.544 4.312 1.556 14 30 [*************+*************-**] 1 373 1 8 PHE QE 1 9 TRP H 4.400 3.500 5.300 5.970 5.942 6.008 0.708 22 30 [********************-+********] 1 374 1 8 PHE QE 1 143 GLY H 4.200 3.400 5.000 5.611 5.429 5.808 0.808 14 25 "[*** ** *****+******* *** *-**]" 1 375 1 8 PHE QE 1 67 THR H 4.800 3.800 5.800 5.681 5.081 5.983 0.183 11 0 "[ . 1 . 2 . 3]" 1 376 1 8 PHE QE 1 140 TYR H 4.100 3.300 4.900 5.070 4.893 5.355 0.455 2 0 "[ . 1 . 2 . 3]" 1 377 1 8 PHE QE 1 40 LEU QD 4.700 3.800 5.600 2.654 2.431 2.909 1.369 29 30 [********************-*******+*] 1 378 1 8 PHE QE 1 40 LEU QD 5.300 4.200 6.400 2.711 2.449 3.014 1.751 29 30 [********************-*******+*] 1 379 1 8 PHE QE 1 51 TYR QD 5.700 4.600 6.800 3.402 2.714 4.132 1.886 22 29 "[******** ************+**-*****]" 1 380 1 8 PHE QE 1 51 TYR QE 5.700 4.600 6.800 4.512 3.825 5.913 0.775 11 7 "[ **- 1+ . 2 * . * *3]" 1 381 1 8 PHE QE 1 54 MET ME 4.900 3.900 5.900 2.538 1.988 2.992 1.912 4 30 [***+**********************-***] 1 382 1 8 PHE QE 1 55 ALA H 4.100 3.300 4.900 5.534 5.367 5.794 0.894 5 28 "[****+********** **-****** ****]" 1 383 1 8 PHE QE 1 57 GLY H 5.300 4.200 6.400 6.015 5.879 6.049 . 0 0 "[ . 1 . 2 . 3]" 1 384 1 8 PHE QE 1 60 TRP HE1 3.900 3.100 4.700 3.450 3.187 3.771 . 0 0 "[ . 1 . 2 . 3]" 1 385 1 8 PHE QE 1 60 TRP HH2 5.700 4.600 6.800 3.676 2.773 4.372 1.827 22 27 "[******** ******-*****+ *.*****]" 1 386 1 8 PHE QE 1 60 TRP HZ2 5.100 4.100 6.100 2.419 2.100 3.081 2.000 26 30 [**********************-**+****] 1 387 1 8 PHE QE 1 194 VAL QG 4.100 3.300 4.900 2.829 2.494 3.164 0.806 29 13 "[ *.** *1* -*.* * 2 *** +3]" 1 388 1 9 TRP H 1 9 TRP QB . 3.400 3.600 2.258 2.197 2.294 1.203 2 30 [*+*****-**********************] 1 389 1 9 TRP H 1 9 TRP HD1 . 3.600 4.000 3.457 3.303 3.666 0.297 14 0 "[ . 1 . 2 . 3]" 1 390 1 9 TRP H 1 9 TRP HE1 3.700 3.400 4.400 5.274 5.130 5.528 1.128 2 30 [*+***********-****************] 1 391 1 9 TRP H 1 10 LEU H 3.200 3.000 3.800 2.605 2.560 2.672 0.440 2 0 "[ . 1 . 2 . 3]" 1 392 1 9 TRP H 1 10 LEU HA 3.900 3.100 4.700 5.056 5.028 5.091 0.391 10 0 "[ . 1 . 2 . 3]" 1 393 1 9 TRP H 1 10 LEU QB 4.600 3.700 5.500 4.486 4.422 4.547 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 9 TRP H 1 10 LEU QD 4.100 3.300 4.800 4.753 4.639 4.917 0.117 15 0 "[ . 1 . 2 . 3]" 1 395 1 9 TRP H 1 10 LEU HG 4.200 3.400 5.000 4.571 4.356 5.057 0.057 11 0 "[ . 1 . 2 . 3]" 1 396 1 9 TRP H 1 11 GLY H 3.900 3.100 4.700 3.880 3.734 4.057 . 0 0 "[ . 1 . 2 . 3]" 1 397 1 9 TRP H 1 24 TRP HE1 3.300 2.600 4.000 5.032 4.621 6.301 2.301 2 30 [*+*-**************************] 1 398 1 9 TRP H 1 51 TYR QB 3.700 3.000 4.400 4.887 4.671 5.052 0.652 15 16 "[*-* * *** ** + ** 2** *.* 3]" 1 399 1 9 TRP H 1 51 TYR QD 4.100 3.300 4.900 5.678 5.044 6.023 1.123 15 25 "[ ****** *****+*****-***. ****]" 1 400 1 9 TRP H 1 55 ALA MB 4.700 3.800 4.700 3.144 2.947 3.455 0.853 10 27 "[*** *** -+***************** **]" 1 401 1 9 TRP HA 1 9 TRP HE3 3.700 3.600 4.400 2.192 2.080 2.334 1.520 16 30 [***********-***+**************] 1 402 1 9 TRP HA 1 9 TRP HZ3 4.600 3.700 5.500 4.385 4.302 4.497 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 9 TRP HA 1 10 LEU H 4.800 3.800 5.800 3.530 3.512 3.546 0.288 20 0 "[ . 1 . 2 . 3]" 1 404 1 9 TRP HA 1 12 ALA MB 4.100 3.500 4.900 2.708 2.432 2.922 1.068 28 30 [*******************-*******+**] 1 405 1 9 TRP HA 1 13 ILE H 4.100 3.300 4.900 4.544 4.451 4.646 . 0 0 "[ . 1 . 2 . 3]" 1 406 1 9 TRP HA 1 55 ALA MB 5.000 4.000 6.000 3.233 2.868 3.462 1.132 2 30 [*+*****-**********************] 1 407 1 9 TRP QB 1 9 TRP HE3 3.900 3.100 4.700 2.971 2.901 3.028 0.199 12 0 "[ . 1 . 2 . 3]" 1 408 1 9 TRP QB 1 10 LEU H . 3.800 4.400 2.546 2.441 2.698 1.359 24 30 [*-*********************+******] 1 409 1 9 TRP QB 1 10 LEU H 3.700 3.000 4.400 2.533 2.431 2.676 0.569 24 9 "[* -. * 1* . * 2* +** 3]" 1 410 1 9 TRP QB 1 10 LEU QB 4.600 3.700 5.300 3.430 3.386 3.498 0.314 1 0 "[ . 1 . 2 . 3]" 1 411 1 9 TRP QB 1 10 LEU QD 5.100 4.100 5.500 3.735 3.559 3.918 0.541 3 4 "[ + . 1 . - 2 * .* 3]" 1 412 1 9 TRP QB 1 12 ALA H 3.400 2.700 4.100 2.749 2.668 2.796 0.032 26 0 "[ . 1 . 2 . 3]" 1 413 1 9 TRP QB 1 25 ALA H 5.100 4.100 6.100 5.115 4.823 5.289 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 9 TRP QB 1 94 ASP H 3.500 2.800 4.200 5.031 4.640 5.541 1.341 15 29 "[**************+**-********* **]" 1 415 1 9 TRP QB 1 95 SER H 4.400 3.500 5.300 4.756 3.636 5.125 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 9 TRP QB 1 120 GLY H 5.300 4.200 6.400 5.680 4.898 6.032 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 9 TRP QB 1 90 LEU H 4.100 3.300 4.900 5.299 5.045 5.457 0.557 26 1 "[ . 1 . 2 .+ 3]" 1 418 1 9 TRP QB 1 109 MET H 3.700 3.000 4.400 5.056 4.603 5.264 0.864 24 25 "[* ****-***** **** *** +******]" 1 419 1 9 TRP QB 1 16 LEU H 3.800 3.000 4.600 5.185 5.106 5.255 0.655 16 30 [******-********+**************] 1 420 1 9 TRP QB 1 148 SER H 3.900 3.100 4.700 5.607 4.763 5.900 1.200 11 27 "[****.*****+*******-* ****** **]" 1 421 1 9 TRP QB 1 113 PHE H 3.400 2.700 4.100 5.441 5.382 5.496 1.396 24 30 [*****-*****************+******] 1 422 1 9 TRP QB 1 189 THR H 4.300 3.400 5.200 5.711 5.400 5.992 0.792 11 15 "[ ** *+***.-* *2*** . **]" 1 423 1 9 TRP QB 1 55 ALA MB 5.700 4.600 6.800 3.778 3.506 4.030 1.094 2 30 [*+*************************-**] 1 424 1 9 TRP HD1 1 10 LEU H 4.600 3.700 5.500 5.003 4.862 5.280 . 0 0 "[ . 1 . 2 . 3]" 1 425 1 9 TRP HD1 1 24 TRP H 3.900 3.100 4.700 4.365 4.206 5.038 0.338 6 0 "[ . 1 . 2 . 3]" 1 426 1 9 TRP HD1 1 93 LEU H 4.200 3.400 5.000 3.020 2.635 3.362 0.765 29 9 "[ * . **-1 ** 2 **. +3]" 1 427 1 9 TRP HD1 1 85 TYR H 4.100 3.300 4.900 5.186 5.077 5.395 0.495 20 0 "[ . 1 . 2 . 3]" 1 428 1 9 TRP HD1 1 136 GLY H 4.800 3.800 5.800 5.225 5.014 5.328 . 0 0 "[ . 1 . 2 . 3]" 1 429 1 9 TRP HD1 1 100 ILE H 5.000 4.000 6.000 5.848 5.775 5.924 . 0 0 "[ . 1 . 2 . 3]" 1 430 1 9 TRP HD1 1 101 VAL H 4.400 3.500 5.300 5.398 5.202 5.606 0.306 26 0 "[ . 1 . 2 . 3]" 1 431 1 9 TRP HD1 1 102 ILE H 4.300 3.400 5.200 4.925 4.608 5.212 0.012 2 0 "[ . 1 . 2 . 3]" 1 432 1 9 TRP HD1 1 55 ALA MB 5.400 4.300 6.500 3.340 3.068 3.634 1.232 25 30 [************************+**-**] 1 433 1 9 TRP HE1 1 9 TRP HZ3 4.300 3.400 5.200 5.892 5.890 5.895 0.695 5 30 [****+*******************-*****] 1 434 1 9 TRP HE1 1 10 LEU QD 4.200 3.400 5.000 3.901 3.704 4.387 . 0 0 "[ . 1 . 2 . 3]" 1 435 1 9 TRP HE1 1 55 ALA MB . 3.500 4.100 2.976 2.756 3.196 0.744 7 16 "[ .*+ *-* *.* **2 *******3]" 1 436 1 9 TRP HE3 1 12 ALA H 4.100 3.300 4.900 4.854 4.411 5.131 0.231 9 0 "[ . 1 . 2 . 3]" 1 437 1 9 TRP HE3 1 12 ALA MB 3.900 3.800 4.700 2.905 2.550 3.114 1.250 2 30 [*+*********************-******] 1 438 1 9 TRP HE3 1 13 ILE H 4.400 3.500 5.300 5.201 4.736 5.447 0.147 24 0 "[ . 1 . 2 . 3]" 1 439 1 9 TRP HE3 1 52 ALA HA 4.800 3.800 5.800 4.081 3.847 4.244 . 0 0 "[ . 1 . 2 . 3]" 1 440 1 9 TRP HE3 1 52 ALA HA 4.700 3.800 5.600 3.858 3.692 3.962 0.108 5 0 "[ . 1 . 2 . 3]" 1 441 1 9 TRP HE3 1 52 ALA MB 5.200 4.200 6.200 4.525 4.286 4.724 . 0 0 "[ . 1 . 2 . 3]" 1 442 1 9 TRP HE3 1 55 ALA MB 4.400 3.500 5.300 3.549 3.379 3.710 0.121 3 0 "[ . 1 . 2 . 3]" 1 443 1 9 TRP HH2 1 52 ALA HA 4.700 3.800 5.600 4.282 3.778 4.488 0.022 16 0 "[ . 1 . 2 . 3]" 1 444 1 9 TRP HH2 1 52 ALA MB 4.700 3.800 5.600 3.883 3.351 4.266 0.449 16 0 "[ . 1 . 2 . 3]" 1 445 1 9 TRP HH2 1 56 LEU H 4.200 3.400 5.000 5.612 5.022 5.986 0.986 19 21 "[*** .*** * -* .***+**** . ****]" 1 446 1 9 TRP HH2 1 56 LEU HA 4.700 3.800 5.600 5.454 5.097 5.993 0.393 28 0 "[ . 1 . 2 . 3]" 1 447 1 9 TRP HH2 1 56 LEU QB 4.500 3.600 5.400 5.330 4.993 5.519 0.119 28 0 "[ . 1 . 2 . 3]" 1 448 1 9 TRP HH2 1 56 LEU QD 3.800 3.600 4.600 2.676 2.388 3.099 1.212 28 30 [*******-*******************+**] 1 449 1 9 TRP HH2 1 56 LEU QD 3.500 2.800 4.200 2.491 2.159 2.827 0.641 6 3 "[ .+ 1 . * 2 . -3]" 1 450 1 9 TRP HH2 1 56 LEU HG 4.300 3.400 5.200 3.472 3.032 4.284 0.368 4 0 "[ . 1 . 2 . 3]" 1 451 1 9 TRP HH2 1 80 THR H 3.900 3.100 4.700 4.807 4.437 5.350 0.650 6 3 "[ -+ 1 . 2 . * 3]" 1 452 1 9 TRP HH2 1 115 GLY H 5.000 4.000 6.000 4.625 4.415 4.843 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 9 TRP HH2 1 116 ALA H 5.200 4.200 6.200 4.670 4.521 4.835 . 0 0 "[ . 1 . 2 . 3]" 1 454 1 9 TRP HH2 1 178 TRP HE1 4.500 3.600 5.400 4.428 3.904 5.057 . 0 0 "[ . 1 . 2 . 3]" 1 455 1 9 TRP HH2 1 162 ARG H 4.300 3.400 5.200 5.518 5.143 5.762 0.562 19 1 "[ . 1 . +2 . 3]" 1 456 1 9 TRP HH2 1 165 ASN QD 4.500 3.600 5.000 5.144 4.909 5.361 0.361 17 0 "[ . 1 . 2 . 3]" 1 457 1 9 TRP HZ2 1 222 GLU H 5.300 4.200 6.400 4.250 3.498 4.883 0.702 5 3 "[ + 1- . 2 * . 3]" 1 458 1 9 TRP HZ2 1 56 LEU QD 2.900 2.300 3.500 2.128 1.968 2.492 0.332 15 0 "[ . 1 . 2 . 3]" 1 459 1 9 TRP HZ2 1 56 LEU HA 4.600 3.700 5.500 3.793 3.348 4.387 0.352 15 0 "[ . 1 . 2 . 3]" 1 460 1 9 TRP HZ2 1 56 LEU QD 3.700 3.600 4.400 2.183 1.991 2.694 1.609 15 30 [**************+************-**] 1 461 1 9 TRP HZ2 1 56 LEU QD 3.300 2.600 4.000 2.153 1.972 2.586 0.628 12 14 "[ **. *1 +-** * *** .** *3]" 1 462 1 9 TRP HZ2 1 56 LEU HG 4.000 3.200 4.800 3.309 2.791 3.472 0.409 5 0 "[ . 1 . 2 . 3]" 1 463 1 9 TRP HZ3 1 12 ALA MB 4.400 4.100 5.300 3.889 3.367 4.147 0.733 2 1 "[ + . 1 . 2 . 3]" 1 464 1 9 TRP HZ3 1 52 ALA H 4.900 3.900 5.900 5.893 5.390 6.024 0.124 2 0 "[ . 1 . 2 . 3]" 1 465 1 9 TRP HZ3 1 52 ALA HA 4.400 3.800 5.300 3.551 3.124 3.818 0.676 16 2 "[ . 1 .+ 2 . -]" 1 466 1 9 TRP HZ3 1 52 ALA MB 5.000 4.000 6.000 3.322 2.911 3.554 1.089 16 29 "[***************+-********** **]" 1 467 1 9 TRP HZ3 1 143 GLY H 4.500 3.600 5.400 5.050 4.873 5.156 . 0 0 "[ . 1 . 2 . 3]" 1 468 1 9 TRP HZ3 1 210 PHE H 4.700 3.800 5.600 5.038 4.354 5.514 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 10 LEU H 1 10 LEU HA 3.200 2.600 3.800 2.806 2.786 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 470 1 10 LEU H 1 10 LEU HA 3.700 3.000 4.400 2.699 2.681 2.718 0.319 1 0 "[ . 1 . 2 . 3]" 1 471 1 10 LEU H 1 10 LEU QB 3.300 2.700 3.800 2.343 2.231 2.423 0.469 11 0 "[ . 1 . 2 . 3]" 1 472 1 10 LEU H 1 10 LEU QD 3.500 2.800 4.200 3.145 3.051 3.259 . 0 0 "[ . 1 . 2 . 3]" 1 473 1 10 LEU H 1 10 LEU HG 3.100 2.500 3.700 2.412 2.222 2.680 0.278 22 0 "[ . 1 . 2 . 3]" 1 474 1 10 LEU H 1 11 GLY H 3.300 3.000 4.000 2.666 2.518 2.817 0.482 18 0 "[ . 1 . 2 . 3]" 1 475 1 10 LEU H 1 13 ILE H 3.800 3.000 4.600 4.854 4.767 4.906 0.306 25 0 "[ . 1 . 2 . 3]" 1 476 1 10 LEU H 1 217 ALA H 3.800 3.000 4.600 4.698 4.542 4.858 0.258 13 0 "[ . 1 . 2 . 3]" 1 477 1 10 LEU H 1 206 VAL H 3.900 3.100 4.700 4.827 4.657 5.047 0.347 25 0 "[ . 1 . 2 . 3]" 1 478 1 10 LEU H 1 105 ASN QD 4.400 3.500 5.300 4.851 4.617 5.083 . 0 0 "[ . 1 . 2 . 3]" 1 479 1 10 LEU H 1 198 VAL QG 4.500 3.600 5.400 4.828 4.594 5.137 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 10 LEU HA 1 10 LEU QB 3.300 2.600 4.000 2.385 2.352 2.428 0.248 22 0 "[ . 1 . 2 . 3]" 1 481 1 10 LEU HA 1 10 LEU HG 3.100 2.500 3.700 2.909 2.593 3.074 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 10 LEU HA 1 11 GLY H 3.600 2.900 4.300 3.532 3.489 3.569 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 10 LEU HA 1 13 ILE H 3.400 2.700 4.100 3.070 3.032 3.116 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 10 LEU HA 1 14 GLY H 4.000 3.200 4.800 4.065 3.982 4.172 . 0 0 "[ . 1 . 2 . 3]" 1 485 1 10 LEU HA 1 178 TRP H 3.200 2.600 3.800 4.697 4.610 4.861 1.061 13 30 [************+**-**************] 1 486 1 10 LEU HA 1 171 TRP H 4.200 3.400 5.000 4.834 4.774 4.897 . 0 0 "[ . 1 . 2 . 3]" 1 487 1 10 LEU HA 1 13 ILE HB 3.700 3.000 4.400 3.153 2.929 3.742 0.071 22 0 "[ . 1 . 2 . 3]" 1 488 1 10 LEU HA 1 13 ILE MD 3.400 2.700 4.100 1.997 1.753 2.265 0.947 7 28 "[***-**+**1** *****************]" 1 489 1 10 LEU QB 1 10 LEU QD 3.300 2.600 4.000 1.928 1.898 1.946 0.702 11 30 [**-*******+*******************] 1 490 1 10 LEU QB 1 10 LEU QD 3.000 2.400 3.600 1.721 1.706 1.736 0.694 11 30 [**********+*********-*********] 1 491 1 10 LEU QB 1 11 GLY H 3.900 3.100 4.200 2.537 2.319 2.740 0.781 8 20 "[* **** +*1*-***** *2 * ** * *]" 1 492 1 10 LEU QB 1 131 ALA H 4.400 3.500 5.300 4.226 4.078 4.510 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 10 LEU QB 1 55 ALA H 3.800 3.000 4.600 4.433 4.251 4.575 . 0 0 "[ . 1 . 2 . 3]" 1 494 1 10 LEU QD 1 10 LEU HG 2.700 2.200 3.200 1.895 1.894 1.896 0.306 30 0 "[ . 1 . 2 . 3]" 1 495 1 10 LEU QD 1 11 GLY H 3.900 3.100 4.700 3.650 3.471 3.734 . 0 0 "[ . 1 . 2 . 3]" 1 496 1 10 LEU QD 1 23 ALA H 4.300 3.400 5.200 3.871 3.753 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 10 LEU QD 1 109 MET H 3.800 3.000 4.600 4.474 4.370 4.618 0.018 9 0 "[ . 1 . 2 . 3]" 1 498 1 10 LEU QD 1 153 SER H 3.600 2.900 4.300 4.450 2.847 4.591 0.291 2 0 "[ . 1 . 2 . 3]" 1 499 1 10 LEU QD 1 129 MET H 4.200 3.400 5.000 4.375 4.160 4.539 . 0 0 "[ . 1 . 2 . 3]" 1 500 1 10 LEU QD 1 67 THR H 4.200 3.400 5.000 3.939 3.729 4.244 . 0 0 "[ . 1 . 2 . 3]" 1 501 1 10 LEU QD 1 112 GLY H 4.200 3.400 5.000 4.521 4.054 4.751 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 10 LEU QD 1 158 SER H 5.100 4.100 6.100 4.590 3.544 5.184 0.556 2 2 "[ + . 1 - . 2 . 3]" 1 503 1 10 LEU QD 1 128 GLY H 4.800 3.800 5.800 4.752 4.369 4.946 . 0 0 "[ . 1 . 2 . 3]" 1 504 1 10 LEU QD 1 130 GLY H 4.100 3.300 4.900 4.565 4.365 4.749 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 10 LEU QD 1 178 TRP H 4.400 3.500 5.300 4.778 4.452 4.949 . 0 0 "[ . 1 . 2 . 3]" 1 506 1 10 LEU QD 1 73 TYR H 3.800 3.000 4.600 4.867 4.396 5.353 0.753 15 14 "[ * *.-* 1* * + **** * * * 3]" 1 507 1 10 LEU HG 1 11 GLY H 3.600 2.900 4.200 4.453 4.282 4.655 0.455 11 0 "[ . 1 . 2 . 3]" 1 508 1 10 LEU HG 1 168 VAL H 4.400 3.500 5.300 5.892 5.763 5.961 0.661 21 29 "[***** **************+*-*******]" 1 509 1 10 LEU HG 1 44 SER H 3.900 3.100 4.700 4.689 4.571 4.958 0.258 3 0 "[ . 1 . 2 . 3]" 1 510 1 10 LEU HG 1 169 VAL H 4.400 3.500 5.300 4.709 4.596 4.777 . 0 0 "[ . 1 . 2 . 3]" 1 511 1 10 LEU HG 1 176 PHE H 4.400 3.500 5.300 4.684 4.342 4.887 . 0 0 "[ . 1 . 2 . 3]" 1 512 1 10 LEU HG 1 205 . H 4.400 3.500 5.300 5.707 5.494 5.905 0.605 20 6 "[ . *** . + * - 3]" 1 513 1 11 GLY H 1 11 GLY QA 3.200 2.600 3.800 2.200 2.189 2.213 0.411 15 0 "[ . 1 . 2 . 3]" 1 514 1 11 GLY H 1 12 ALA H 3.500 2.800 4.100 2.633 2.475 2.785 0.325 18 0 "[ . 1 . 2 . 3]" 1 515 1 11 GLY H 1 13 ILE H 4.200 3.400 4.900 4.111 3.998 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 516 1 11 GLY H 1 51 TYR QB 4.000 3.200 4.800 4.355 3.783 4.852 0.052 9 0 "[ . 1 . 2 . 3]" 1 517 1 11 GLY H 1 51 TYR QD 4.400 3.500 5.300 4.701 3.263 5.275 0.237 1 0 "[ . 1 . 2 . 3]" 1 518 1 11 GLY H 1 51 TYR QE . 4.500 5.300 5.422 3.945 6.020 0.720 29 5 "[ *. -1** . 2 . +3]" 1 519 1 11 GLY H 1 198 VAL QG 3.900 3.200 4.700 3.211 2.766 3.827 0.434 14 0 "[ . 1 . 2 . 3]" 1 520 1 11 GLY H 1 198 VAL QG 3.900 3.100 4.700 3.098 2.736 3.566 0.364 14 0 "[ . 1 . 2 . 3]" 1 521 1 11 GLY QA 1 13 ILE H 4.100 3.300 4.900 3.883 3.753 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 11 GLY QA 1 14 GLY H 4.600 3.700 5.500 3.491 3.267 3.673 0.433 25 0 "[ . 1 . 2 . 3]" 1 523 1 11 GLY QA 1 198 VAL QG 4.000 3.200 4.800 2.407 2.027 3.263 1.173 14 25 "[ -***** ****+.**************3]" 1 524 1 11 GLY QA 1 202 LEU QD 4.400 3.500 5.300 1.976 1.919 2.230 1.581 15 30 [********-*****+***************] 1 525 1 12 ALA H 1 12 ALA HA 3.200 2.600 3.800 2.835 2.784 2.859 . 0 0 "[ . 1 . 2 . 3]" 1 526 1 12 ALA H 1 12 ALA HA 3.700 3.000 4.400 2.714 2.662 2.754 0.338 11 0 "[ . 1 . 2 . 3]" 1 527 1 12 ALA H 1 12 ALA MB 3.400 2.700 4.100 2.241 2.209 2.259 0.491 28 0 "[ . 1 . 2 . 3]" 1 528 1 12 ALA H 1 12 ALA MB 3.600 2.900 4.300 2.236 2.205 2.254 0.695 28 30 [**************-************+**] 1 529 1 12 ALA H 1 13 ILE H 3.300 2.600 4.000 2.547 2.458 2.709 0.142 10 0 "[ . 1 . 2 . 3]" 1 530 1 12 ALA H 1 13 ILE H 3.500 2.800 4.200 2.516 2.433 2.675 0.367 10 0 "[ . 1 . 2 . 3]" 1 531 1 12 ALA H 1 13 ILE HA 3.800 3.000 4.600 4.812 4.721 4.919 0.319 11 0 "[ . 1 . 2 . 3]" 1 532 1 12 ALA H 1 13 ILE HB 3.500 2.800 4.200 4.526 4.433 4.793 0.593 11 1 "[ . 1+ . 2 . 3]" 1 533 1 12 ALA H 1 13 ILE MG 3.900 3.100 4.700 5.834 5.768 5.972 1.272 26 30 [*****************-*******+****] 1 534 1 12 ALA H 1 14 GLY H 4.000 3.200 4.800 4.381 4.272 4.498 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 12 ALA H 1 14 GLY H 3.700 3.000 4.400 2.654 2.573 2.764 0.427 7 0 "[ . 1 . 2 . 3]" 1 536 1 12 ALA H 1 17 VAL HA 3.800 3.000 4.600 5.653 5.153 5.844 1.244 19 30 [*-****************+***********] 1 537 1 12 ALA H 1 27 ARG QG 4.200 3.400 5.000 5.797 5.310 5.975 0.975 15 26 "[* **.*********+****2 -********]" 1 538 1 12 ALA H 1 51 TYR QD 5.500 4.400 6.600 3.861 2.520 4.164 1.880 25 7 "[* . **1 . *2 +* - 3]" 1 539 1 12 ALA H 1 51 TYR QB 3.600 3.000 4.300 3.098 2.801 3.370 0.199 28 0 "[ . 1 . 2 . 3]" 1 540 1 12 ALA H 1 51 TYR QD 4.000 3.200 4.800 4.128 2.550 4.648 0.650 25 2 "[ . -1 . 2 + 3]" 1 541 1 12 ALA H 1 107 VAL QG 4.200 3.400 5.000 3.962 3.824 4.139 . 0 0 "[ . 1 . 2 . 3]" 1 542 1 12 ALA HA 1 13 ILE H 3.900 3.100 4.700 3.264 3.155 3.319 . 0 0 "[ . 1 . 2 . 3]" 1 543 1 12 ALA HA 1 15 MET H 3.400 2.700 4.100 3.413 3.202 3.562 . 0 0 "[ . 1 . 2 . 3]" 1 544 1 12 ALA HA 1 16 LEU H 3.500 2.800 4.200 3.900 3.529 4.143 . 0 0 "[ . 1 . 2 . 3]" 1 545 1 12 ALA HA 1 47 ALA H 4.100 3.300 4.900 4.789 4.621 4.899 . 0 0 "[ . 1 . 2 . 3]" 1 546 1 12 ALA HA 1 49 VAL H 4.600 3.700 5.500 2.617 2.162 3.265 1.538 18 29 "[-****** *********+************]" 1 547 1 12 ALA HA 1 51 TYR H 3.100 2.500 3.700 3.661 3.455 3.825 0.125 5 0 "[ . 1 . 2 . 3]" 1 548 1 12 ALA HA 1 51 TYR QB 5.000 4.000 6.000 2.710 2.364 2.958 1.636 26 30 [**********-**************+****] 1 549 1 12 ALA HA 1 51 TYR QD 5.300 4.200 6.400 2.734 2.181 3.862 2.019 18 29 "[-****** *********+************]" 1 550 1 12 ALA HA 1 51 TYR QB 4.200 3.400 5.000 2.996 2.675 3.305 0.725 26 9 "[* . * * * * 2 *-.+ * 3]" 1 551 1 12 ALA MB 1 13 ILE H 3.700 3.000 4.400 2.703 2.602 2.808 0.398 15 0 "[ . 1 . 2 . 3]" 1 552 1 12 ALA MB 1 13 ILE H 3.900 3.100 4.700 2.661 2.569 2.750 0.531 15 4 "[ . 1 + * . * -3]" 1 553 1 12 ALA MB 1 13 ILE HA 4.400 3.500 5.300 3.688 3.582 3.762 . 0 0 "[ . 1 . 2 . 3]" 1 554 1 12 ALA MB 1 13 ILE HB 3.900 3.100 4.700 4.030 3.712 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 555 1 12 ALA MB 1 13 ILE MG 4.000 3.200 4.800 5.018 4.784 5.068 0.268 28 0 "[ . 1 . 2 . 3]" 1 556 1 12 ALA MB 1 14 GLY H 5.400 4.300 6.500 4.802 4.658 4.893 . 0 0 "[ . 1 . 2 . 3]" 1 557 1 12 ALA MB 1 16 LEU QB 4.000 3.200 4.800 4.329 3.857 4.661 . 0 0 "[ . 1 . 2 . 3]" 1 558 1 12 ALA MB 1 51 TYR H 3.600 2.900 4.300 4.465 4.316 4.643 0.343 29 0 "[ . 1 . 2 . 3]" 1 559 1 12 ALA MB 1 51 TYR QB 4.500 4.300 5.400 2.364 1.954 2.730 2.346 26 30 [*******************-*****+****] 1 560 1 12 ALA MB 1 52 ALA H 4.100 3.400 4.900 3.486 3.267 3.766 0.133 5 0 "[ . 1 . 2 . 3]" 1 561 1 12 ALA MB 1 52 ALA HA 3.900 3.600 4.700 3.413 2.932 3.672 0.668 2 2 "[ + - 1 . 2 . 3]" 1 562 1 12 ALA MB 1 52 ALA MB 4.000 3.200 4.800 3.101 2.672 3.307 0.528 5 1 "[ + 1 . 2 . 3]" 1 563 1 12 ALA MB 1 55 ALA MB 5.400 4.300 6.500 4.054 3.762 4.362 0.538 1 2 "[+- . 1 . 2 . 3]" 1 564 1 13 ILE H 1 13 ILE HA 3.200 2.600 3.800 2.825 2.797 2.845 . 0 0 "[ . 1 . 2 . 3]" 1 565 1 13 ILE H 1 13 ILE HA 3.600 2.900 4.300 2.720 2.689 2.754 0.211 29 0 "[ . 1 . 2 . 3]" 1 566 1 13 ILE H 1 13 ILE HB 3.400 2.700 3.500 2.555 2.504 2.961 0.196 9 0 "[ . 1 . 2 . 3]" 1 567 1 13 ILE H 1 13 ILE MD 3.400 2.700 4.100 3.397 3.093 3.636 . 0 0 "[ . 1 . 2 . 3]" 1 568 1 13 ILE H 1 13 ILE MD 3.100 2.500 3.700 3.154 2.962 3.296 . 0 0 "[ . 1 . 2 . 3]" 1 569 1 13 ILE H 1 13 ILE QG 3.100 2.500 3.700 2.091 1.737 2.174 0.763 11 2 "[ . 1+ . 2 .- 3]" 1 570 1 13 ILE H 1 13 ILE QG 3.600 2.900 4.300 2.090 1.737 2.173 1.163 11 30 [*********-+*******************] 1 571 1 13 ILE H 1 13 ILE MG 3.400 2.700 4.100 3.768 3.707 3.786 . 0 0 "[ . 1 . 2 . 3]" 1 572 1 13 ILE H 1 14 GLY H 3.300 2.600 4.000 2.725 2.632 2.821 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 13 ILE H 1 14 GLY H 3.600 2.900 4.300 2.697 2.612 2.792 0.288 1 0 "[ . 1 . 2 . 3]" 1 574 1 13 ILE H 1 14 GLY QA 3.800 3.000 4.600 4.557 4.495 4.636 0.036 30 0 "[ . 1 . 2 . 3]" 1 575 1 13 ILE H 1 15 MET H 3.300 2.600 4.000 2.600 2.464 2.684 0.136 19 0 "[ . 1 . 2 . 3]" 1 576 1 13 ILE HA 1 13 ILE HB 3.700 3.000 4.400 3.022 2.984 3.026 0.016 11 0 "[ . 1 . 2 . 3]" 1 577 1 13 ILE HA 1 13 ILE HB 3.300 2.600 4.000 2.332 2.193 2.488 0.407 14 0 "[ . 1 . 2 . 3]" 1 578 1 13 ILE HA 1 13 ILE MD 3.300 2.600 4.000 2.142 1.881 2.362 0.719 18 13 "[ -** ** * . +** * * ** 3]" 1 579 1 13 ILE HA 1 13 ILE MD 3.400 2.700 4.100 1.908 1.763 2.036 0.937 28 30 [**************-************+**] 1 580 1 13 ILE HA 1 13 ILE QG 3.500 3.000 4.200 2.656 2.392 3.008 0.608 14 16 "[** .*** 1 * +*** 2* **.- **]" 1 581 1 13 ILE HA 1 13 ILE MG 3.300 2.600 4.000 2.390 2.215 2.422 0.385 11 0 "[ . 1 . 2 . 3]" 1 582 1 13 ILE HA 1 14 GLY H . 3.800 4.400 3.565 3.549 3.575 0.251 26 0 "[ . 1 . 2 . 3]" 1 583 1 13 ILE HA 1 16 LEU H 3.200 2.600 3.800 3.553 3.364 3.846 0.046 6 0 "[ . 1 . 2 . 3]" 1 584 1 13 ILE HA 1 16 LEU QB 3.800 3.000 4.600 2.894 2.743 3.098 0.257 16 0 "[ . 1 . 2 . 3]" 1 585 1 13 ILE HA 1 16 LEU QB 3.600 2.900 4.300 2.647 2.552 2.772 0.348 18 0 "[ . 1 . 2 . 3]" 1 586 1 13 ILE HA 1 16 LEU QD 3.500 2.800 4.200 3.988 2.906 4.495 0.295 1 0 "[ . 1 . 2 . 3]" 1 587 1 13 ILE HA 1 17 VAL H 4.100 3.300 4.900 4.473 3.825 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 588 1 13 ILE HA 1 205 . H 4.200 3.400 5.000 5.081 4.918 5.215 0.215 13 0 "[ . 1 . 2 . 3]" 1 589 1 13 ILE HB 1 14 GLY H 3.700 3.000 4.200 2.351 2.270 2.487 0.730 28 30 [-**************************+**] 1 590 1 13 ILE HB 1 55 ALA H 3.800 3.000 4.600 4.497 4.200 5.893 1.293 28 1 "[ . 1 . 2 . + 3]" 1 591 1 13 ILE HB 1 198 VAL H 4.000 3.200 4.800 5.746 5.646 5.862 1.062 6 30 [*****+******-*****************] 1 592 1 13 ILE HB 1 57 GLY H 4.200 3.400 5.000 4.769 4.619 5.094 0.094 28 0 "[ . 1 . 2 . 3]" 1 593 1 13 ILE HB 1 79 THR H 3.300 2.600 4.000 3.980 2.150 4.537 0.537 5 1 "[ + 1 . 2 . 3]" 1 594 1 13 ILE HB 1 116 ALA H 3.900 3.100 4.700 4.160 3.807 4.449 . 0 0 "[ . 1 . 2 . 3]" 1 595 1 13 ILE HB 1 181 GLY H 3.800 3.000 4.600 3.931 3.463 4.171 . 0 0 "[ . 1 . 2 . 3]" 1 596 1 13 ILE HB 1 75 ASP H 4.200 3.400 5.000 4.986 4.554 5.638 0.638 2 1 "[ + . 1 . 2 . 3]" 1 597 1 13 ILE HB 1 106 THR H 4.100 3.300 4.900 5.840 5.773 5.924 1.024 18 30 [**-**************+************] 1 598 1 13 ILE MD 1 13 ILE QG 2.800 2.200 3.400 1.888 1.886 1.889 0.314 19 0 "[ . 1 . 2 . 3]" 1 599 1 13 ILE MD 1 17 VAL MG1 2.500 . 3.000 1.850 1.831 1.859 0.169 14 0 "[ . 1 . 2 . 3]" 1 600 1 13 ILE MD 1 14 GLY H 4.000 3.200 4.800 4.451 4.226 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 601 1 13 ILE QG 1 14 GLY H 4.500 3.600 4.900 3.874 3.281 3.966 0.319 11 0 "[ . 1 . 2 . 3]" 1 602 1 13 ILE QG 1 16 LEU QB 3.300 2.600 4.000 4.853 4.347 5.285 1.285 9 27 "[******* +**** * ************-*]" 1 603 1 13 ILE QG 1 16 LEU QD 2.000 . 2.400 3.430 2.999 3.911 1.511 30 30 [******-**********************+] 1 604 1 13 ILE QG 1 16 LEU QD 2.900 2.300 3.500 1.942 1.692 2.507 0.608 10 6 "[ . * + * *. - 2 * . 3]" 1 605 1 13 ILE MG 1 14 GLY H 3.800 3.000 4.600 3.245 3.116 3.781 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 13 ILE MG 1 14 GLY H 3.600 2.900 4.300 2.832 2.674 2.925 0.226 27 0 "[ . 1 . 2 . 3]" 1 607 1 13 ILE MG 1 15 MET H 3.400 2.700 4.100 2.803 2.516 3.419 0.184 23 0 "[ . 1 . 2 . 3]" 1 608 1 14 GLY H 1 14 GLY QA 3.200 2.600 3.800 2.199 2.195 2.205 0.405 27 0 "[ . 1 . 2 . 3]" 1 609 1 14 GLY H 1 15 MET H 3.500 2.800 4.200 2.677 2.588 2.795 0.212 7 0 "[ . 1 . 2 . 3]" 1 610 1 14 GLY H 1 16 LEU H 4.000 3.200 4.800 4.321 4.186 4.624 . 0 0 "[ . 1 . 2 . 3]" 1 611 1 14 GLY H 1 17 VAL H 4.500 3.600 5.400 4.987 4.885 5.096 . 0 0 "[ . 1 . 2 . 3]" 1 612 1 14 GLY H 1 17 VAL HB 4.400 3.500 5.300 5.704 5.459 5.916 0.616 16 7 "[ * 1 * .+ * -* * 3]" 1 613 1 14 GLY H 1 17 VAL QG 5.100 4.100 6.100 4.358 3.930 4.660 0.170 28 0 "[ . 1 . 2 . 3]" 1 614 1 14 GLY H 1 202 LEU QD 4.900 3.900 5.900 3.242 2.852 3.690 1.048 11 24 "[******** 1+ **.*- ***** ******]" 1 615 1 14 GLY QA 1 15 MET H 3.200 2.600 3.800 2.757 2.700 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 616 1 14 GLY QA 1 16 LEU H 4.100 3.300 4.900 4.153 4.001 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 617 1 14 GLY QA 1 17 VAL QG 4.500 3.600 5.400 2.496 1.922 2.879 1.678 11 30 [**********+*********-*********] 1 618 1 14 GLY QA 1 17 VAL QG 3.000 2.400 3.600 2.019 1.796 2.092 0.604 11 2 "[ . 1+ . 2 . - 3]" 1 619 1 14 GLY QA 1 70 VAL QG 4.700 3.800 5.600 2.562 1.616 3.413 2.184 16 26 "[*********1* ***+* *****-.*****]" 1 620 1 14 GLY QA 1 78 LEU QD 4.200 3.400 5.000 2.264 1.755 2.762 1.645 11 30 [**********+******-************] 1 621 1 15 MET H 1 15 MET ME 4.000 3.200 4.800 3.635 3.396 3.786 . 0 0 "[ . 1 . 2 . 3]" 1 622 1 15 MET H 1 15 MET ME 3.500 2.800 4.200 3.998 3.608 4.408 0.208 3 0 "[ . 1 . 2 . 3]" 1 623 1 15 MET H 1 16 LEU H 3.400 2.700 4.100 2.640 2.494 2.728 0.206 19 0 "[ . 1 . 2 . 3]" 1 624 1 15 MET H 1 16 LEU QB 3.300 2.600 4.000 4.316 4.218 4.505 0.505 6 1 "[ .+ 1 . 2 . 3]" 1 625 1 15 MET H 1 17 VAL H 3.700 3.400 4.400 4.120 3.953 4.479 0.079 21 0 "[ . 1 . 2 . 3]" 1 626 1 15 MET H 1 17 VAL HB 3.300 2.600 4.000 5.298 5.052 5.953 1.953 28 30 [********-******************+**] 1 627 1 15 MET H 1 17 VAL QG 4.500 3.600 5.400 4.568 3.809 4.996 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 15 MET H 1 24 TRP HE3 4.100 3.300 4.900 5.256 4.754 6.017 1.117 8 6 "[** * +*1 . 2- . 3]" 1 629 1 15 MET H 1 48 ALA MB 4.000 3.200 4.800 4.797 4.372 5.305 0.505 23 1 "[ . 1 . 2 + . 3]" 1 630 1 15 MET H 1 78 LEU QD 3.800 3.000 4.600 2.711 2.329 3.158 0.671 21 3 "[ . *1 . 2+ - . 3]" 1 631 1 15 MET H 1 202 LEU QD 4.400 3.500 5.300 2.876 2.544 3.721 0.956 23 23 "[- **.** ** ******* ***+** * **]" 1 632 1 15 MET H 1 206 VAL QG 4.200 3.400 5.000 4.315 3.976 4.727 . 0 0 "[ . 1 . 2 . 3]" 1 633 1 15 MET HA 1 15 MET ME 4.900 3.900 5.900 3.462 2.690 4.077 1.210 17 12 "[ .-* ** ** * +* 2 **.* 3]" 1 634 1 15 MET HA 1 15 MET ME 4.400 3.500 5.300 3.405 2.675 3.998 0.825 17 11 "[ . * ** -* * +* 2 **.* 3]" 1 635 1 15 MET HA 1 16 LEU H 3.700 3.000 4.400 3.542 3.523 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 636 1 15 MET HA 1 18 GLY H 3.800 3.000 4.600 3.413 3.271 3.606 . 0 0 "[ . 1 . 2 . 3]" 1 637 1 15 MET HA 1 19 THR MG 4.200 3.400 5.000 2.914 2.442 3.453 0.958 6 15 "[ *.+***1 ** -****2* **. 3]" 1 638 1 15 MET HA 1 206 VAL QG 4.200 3.400 5.000 2.920 2.443 3.474 0.957 6 15 "[ *.+***1 ** *-***2* **. 3]" 1 639 1 15 MET ME 1 44 SER H 3.100 2.500 3.700 5.421 4.992 5.619 1.919 3 30 [**+**********************-****] 1 640 1 15 MET ME 1 44 SER HA 5.200 4.200 6.200 3.161 2.644 3.296 1.556 26 30 [********************-****+****] 1 641 1 15 MET ME 1 45 GLY H 4.200 3.400 5.000 5.960 5.516 6.042 1.042 25 30 [************************+-****] 1 642 1 15 MET ME 1 47 ALA H 3.800 3.000 4.600 4.413 4.302 4.504 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 15 MET ME 1 47 ALA MB 4.500 3.700 5.400 1.789 1.700 1.879 2.000 21 30 [*****-**************+*********] 1 644 1 15 MET ME 1 51 TYR QE 5.000 4.200 6.000 2.067 1.782 3.546 2.418 18 30 [********-********+************] 1 645 1 15 MET ME 1 60 TRP H 4.500 3.600 5.400 5.630 5.379 6.073 0.673 25 6 "[ . * 1 - * 2 * + *3]" 1 646 1 15 MET ME 1 70 VAL H 4.100 3.300 4.900 4.346 4.114 4.487 . 0 0 "[ . 1 . 2 . 3]" 1 647 1 15 MET ME 1 117 MET H 2.600 2.100 3.100 4.897 4.413 5.307 2.207 5 30 [****+*******************-*****] 1 648 1 15 MET ME 1 120 GLY H 3.500 2.800 4.200 3.884 3.147 4.307 0.107 10 0 "[ . 1 . 2 . 3]" 1 649 1 15 MET ME 1 151 GLN QE 3.200 2.600 3.800 2.903 2.021 3.939 0.579 8 1 "[ . + 1 . 2 . 3]" 1 650 1 15 MET ME 1 179 LEU H 3.800 3.000 4.600 4.116 3.597 4.344 . 0 0 "[ . 1 . 2 . 3]" 1 651 1 15 MET ME 1 112 GLY H 4.300 3.400 5.200 4.792 4.311 5.639 0.439 5 0 "[ . 1 . 2 . 3]" 1 652 1 15 MET ME 1 198 VAL QG 4.900 3.900 5.900 2.296 1.841 3.205 2.059 9 30 [*******-+*********************] 1 653 1 15 MET ME 1 201 ASP HA 3.600 2.900 4.300 2.420 1.991 2.726 0.909 8 10 "[*** . + 1 *.* 2 . ***-]" 1 654 1 15 MET ME 1 201 ASP QB 4.000 3.200 4.700 3.315 2.315 3.971 0.885 21 1 "[ . 1 . 2+ . 3]" 1 655 1 15 MET ME 1 202 LEU H 3.200 2.600 3.800 2.049 2.000 2.213 0.600 30 26 "[ * ****-**** ***************+]" 1 656 1 15 MET ME 1 206 VAL H 3.400 2.700 4.100 3.872 3.570 4.206 0.106 1 0 "[ . 1 . 2 . 3]" 1 657 1 15 MET ME 1 205 . H 3.900 3.100 4.700 4.316 4.058 4.556 . 0 0 "[ . 1 . 2 . 3]" 1 658 1 15 MET ME 1 206 VAL H 5.100 4.100 6.100 4.086 3.696 4.554 0.404 17 0 "[ . 1 . 2 . 3]" 1 659 1 15 MET ME 1 206 VAL QG 4.700 3.800 5.600 3.093 2.534 3.734 1.266 17 22 "[ ***.******** **+**2 ***.* * -]" 1 660 1 16 LEU H 1 16 LEU QB 3.600 2.900 3.600 2.142 2.051 2.343 0.849 9 30 [*****-**+*********************] 1 661 1 16 LEU H 1 16 LEU QB 3.300 2.600 4.000 1.939 1.891 2.038 0.709 29 30 [*****-**********************+*] 1 662 1 16 LEU H 1 16 LEU QD 3.600 2.900 4.300 3.336 2.229 3.738 0.671 11 2 "[ - . 1+ . 2 . 3]" 1 663 1 16 LEU H 1 16 LEU QD 3.100 2.500 3.700 3.150 2.217 3.474 0.283 11 0 "[ . 1 . 2 . 3]" 1 664 1 16 LEU H 1 17 VAL H 3.200 2.900 3.800 2.751 2.625 2.954 0.275 7 0 "[ . 1 . 2 . 3]" 1 665 1 16 LEU H 1 17 VAL HB 3.500 2.800 4.200 5.011 4.871 5.216 1.016 28 30 [**************-************+**] 1 666 1 16 LEU H 1 17 VAL QG 4.000 3.400 4.800 3.991 3.832 4.204 . 0 0 "[ . 1 . 2 . 3]" 1 667 1 16 LEU H 1 18 GLY H 4.200 3.400 5.000 4.283 4.020 4.406 . 0 0 "[ . 1 . 2 . 3]" 1 668 1 16 LEU H 1 19 THR MG 4.300 3.400 5.200 6.055 6.024 6.094 0.894 21 30 [*******************-+*********] 1 669 1 16 LEU H 1 48 ALA MB 3.900 3.100 4.600 3.920 3.434 4.182 . 0 0 "[ . 1 . 2 . 3]" 1 670 1 16 LEU HA 1 16 LEU QB 3.300 2.600 4.000 2.284 2.121 2.384 0.479 21 0 "[ . 1 . 2 . 3]" 1 671 1 16 LEU HA 1 16 LEU QD 3.000 2.400 3.600 1.968 1.820 2.896 0.580 29 20 "[***** * *** * *** 2 *-****+3]" 1 672 1 16 LEU HA 1 16 LEU QD 2.800 2.200 3.400 1.889 1.744 2.565 0.456 29 0 "[ . 1 . 2 . 3]" 1 673 1 16 LEU HA 1 18 GLY H 3.800 3.000 4.600 4.514 4.181 4.758 0.158 8 0 "[ . 1 . 2 . 3]" 1 674 1 16 LEU HA 1 19 THR MG 3.300 2.600 4.000 3.470 3.279 3.651 . 0 0 "[ . 1 . 2 . 3]" 1 675 1 16 LEU HA 1 20 LEU H 3.200 2.600 3.800 2.806 2.786 2.817 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 16 LEU HA 1 20 LEU MD2 2.800 2.200 3.400 2.023 1.950 2.170 0.250 19 0 "[ . 1 . 2 . 3]" 1 677 1 16 LEU HA 1 20 LEU HG 3.200 2.600 3.800 2.731 2.651 2.914 . 0 0 "[ . 1 . 2 . 3]" 1 678 1 16 LEU QB 1 16 LEU QD 3.000 2.400 3.600 1.741 1.679 1.770 0.721 30 30 [***************************-*+] 1 679 1 16 LEU QB 1 17 VAL H 3.400 2.900 4.100 2.555 2.322 2.750 0.578 21 3 "[ . 1 .- 2+ . * 3]" 1 680 1 16 LEU QB 1 17 VAL H 3.600 2.900 4.300 2.343 2.192 2.458 0.708 21 26 "[* **** *** *********+ ******-*]" 1 681 1 16 LEU QB 1 17 VAL H 3.600 2.900 4.300 2.163 2.060 2.228 0.840 21 30 [**-*****************+*********] 1 682 1 16 LEU QB 1 17 VAL HA 4.300 3.400 5.200 3.896 3.778 4.169 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 16 LEU QB 1 17 VAL QG 4.200 3.400 5.000 2.902 2.714 3.235 0.686 27 16 "[* * * **.* ****-* **+ *]" 1 684 1 16 LEU QB 1 18 GLY H 4.600 3.700 4.800 4.756 4.446 4.894 0.094 15 0 "[ . 1 . 2 . 3]" 1 685 1 16 LEU QD 1 17 VAL H 3.200 2.600 3.800 2.000 1.904 2.194 0.696 16 28 "[******* ** ****+***********-**]" 1 686 1 16 LEU QD 1 17 VAL H 3.500 2.800 4.200 2.929 2.562 3.195 0.238 26 0 "[ . 1 . 2 . 3]" 1 687 1 16 LEU QD 1 17 VAL HA 3.100 2.500 3.700 2.097 2.066 2.197 0.434 16 0 "[ . 1 . 2 . 3]" 1 688 1 16 LEU QD 1 18 GLY H 3.300 2.600 4.000 2.800 1.869 3.054 0.731 28 2 "[ . 1- . 2 . + 3]" 1 689 1 16 LEU QD 1 20 LEU H 3.400 2.700 4.100 2.910 1.980 3.103 0.720 21 1 "[ . 1 . 2+ . 3]" 1 690 1 16 LEU QD 1 21 ALA H 3.800 3.000 4.600 3.575 3.397 3.723 . 0 0 "[ . 1 . 2 . 3]" 1 691 1 16 LEU QD 1 19 THR MG 3.600 2.900 4.300 3.511 3.021 4.471 0.171 30 0 "[ . 1 . 2 . 3]" 1 692 1 16 LEU QD 1 20 LEU H 3.900 3.100 4.700 3.829 3.257 5.084 0.384 30 0 "[ . 1 . 2 . 3]" 1 693 1 17 VAL H 1 17 VAL HA 3.600 2.900 4.300 2.807 2.789 2.844 0.111 21 0 "[ . 1 . 2 . 3]" 1 694 1 17 VAL H 1 17 VAL HA 3.200 2.600 3.800 2.783 2.766 2.815 . 0 0 "[ . 1 . 2 . 3]" 1 695 1 17 VAL H 1 17 VAL HB 3.400 2.700 3.700 2.576 2.429 2.655 0.271 11 0 "[ . 1 . 2 . 3]" 1 696 1 17 VAL H 1 17 VAL QG 3.100 2.700 3.700 2.008 1.912 2.206 0.788 16 29 "[*******-** ****+**************]" 1 697 1 17 VAL H 1 18 GLY H 3.500 2.800 4.100 2.719 2.555 2.789 0.245 11 0 "[ . 1 . 2 . 3]" 1 698 1 17 VAL H 1 20 LEU H 4.200 3.400 5.000 4.973 4.726 5.155 0.155 6 0 "[ . 1 . 2 . 3]" 1 699 1 17 VAL H 1 20 LEU QB 4.400 3.500 5.300 5.460 5.057 5.819 0.519 6 1 "[ .+ 1 . 2 . 3]" 1 700 1 17 VAL H 1 127 PHE H 4.400 3.500 5.300 5.276 5.064 5.489 0.189 5 0 "[ . 1 . 2 . 3]" 1 701 1 17 VAL H 1 178 TRP HE1 4.300 3.400 5.200 4.723 4.483 4.964 . 0 0 "[ . 1 . 2 . 3]" 1 702 1 17 VAL HA 1 17 VAL HB 3.500 2.800 4.200 2.987 2.451 3.027 0.349 28 0 "[ . 1 . 2 . 3]" 1 703 1 17 VAL HA 1 17 VAL HB 3.500 2.800 4.200 2.889 2.446 2.931 0.354 28 0 "[ . 1 . 2 . 3]" 1 704 1 17 VAL HA 1 17 VAL QG 3.100 2.500 3.700 1.897 1.885 1.954 0.615 16 30 [***************+***********-**] 1 705 1 17 VAL HA 1 18 GLY H 4.400 3.500 5.300 3.550 3.484 3.570 0.016 21 0 "[ . 1 . 2 . 3]" 1 706 1 17 VAL HA 1 18 GLY H 3.200 2.600 3.800 2.186 2.180 2.192 0.420 8 0 "[ . 1 . 2 . 3]" 1 707 1 17 VAL HA 1 19 THR H 3.300 2.600 4.000 2.627 2.571 2.674 0.029 21 0 "[ . 1 . 2 . 3]" 1 708 1 17 VAL HA 1 21 ALA H 3.800 3.000 4.600 3.190 3.105 3.250 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 17 VAL HA 1 44 SER H 4.100 3.300 4.900 5.138 4.931 5.323 0.423 6 0 "[ . 1 . 2 . 3]" 1 710 1 17 VAL HA 1 168 VAL H 3.900 3.100 4.700 4.330 3.500 5.549 0.849 28 4 "[ * . 1 - . * 2 . + 3]" 1 711 1 17 VAL HA 1 106 THR H 4.200 3.400 5.000 5.280 5.201 5.332 0.332 4 0 "[ . 1 . 2 . 3]" 1 712 1 17 VAL HA 1 212 ALA H 4.000 3.200 4.800 4.095 4.055 4.140 . 0 0 "[ . 1 . 2 . 3]" 1 713 1 17 VAL HA 1 125 ALA H 4.600 3.700 5.500 5.180 5.039 5.317 . 0 0 "[ . 1 . 2 . 3]" 1 714 1 17 VAL HA 1 20 LEU H 3.800 3.000 4.600 3.799 3.595 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 715 1 17 VAL HA 1 20 LEU H 4.000 3.200 4.800 3.162 3.077 3.227 0.123 21 0 "[ . 1 . 2 . 3]" 1 716 1 17 VAL HA 1 20 LEU QB 3.500 2.800 4.200 3.095 2.640 3.286 0.160 21 0 "[ . 1 . 2 . 3]" 1 717 1 17 VAL HA 1 20 LEU QB 4.100 3.300 4.900 3.078 2.699 3.299 0.601 21 1 "[ . 1 . 2+ . 3]" 1 718 1 17 VAL HA 1 20 LEU QB 3.400 2.700 4.100 2.237 2.076 2.462 0.624 21 12 "[ * **- 1* * .* *2+ . ***3]" 1 719 1 17 VAL HA 1 20 LEU MD1 3.300 2.600 4.000 3.360 3.120 4.896 0.896 21 1 "[ . 1 . 2+ . 3]" 1 720 1 17 VAL HB 1 18 GLY H 3.700 3.000 3.800 2.590 2.387 3.689 0.613 15 14 "[* ** * 1 * *+- * * *.** *3]" 1 721 1 17 VAL HB 1 21 ALA H 4.900 3.900 5.900 5.784 5.585 6.073 0.173 28 0 "[ . 1 . 2 . 3]" 1 722 1 17 VAL HB 1 21 ALA H 4.900 3.900 5.900 5.784 5.585 6.073 0.173 28 0 "[ . 1 . 2 . 3]" 1 723 1 17 VAL HB 1 106 THR H 4.100 3.300 4.900 5.185 5.070 5.357 0.457 19 0 "[ . 1 . 2 . 3]" 1 724 1 17 VAL HB 1 221 ALA H 5.600 4.500 6.700 3.906 3.574 4.280 0.926 29 20 "[ *.** *-* *** *** ******+*]" 1 725 1 17 VAL HB 1 146 THR H 3.700 3.000 4.400 4.669 3.998 5.603 1.203 27 10 "[ *-* * ** 2 **.*+ 3]" 1 726 1 17 VAL HB 1 210 PHE QE 5.400 4.300 6.500 4.792 4.227 6.043 0.073 3 0 "[ . 1 . 2 . 3]" 1 727 1 17 VAL QG 1 18 GLY H 3.900 3.100 4.700 3.081 1.875 3.332 1.225 28 2 "[ . 1- . 2 . + 3]" 1 728 1 17 VAL QG 1 18 GLY H 3.200 2.600 3.800 2.741 1.862 2.878 0.738 28 2 "[ . 1- . 2 . + 3]" 1 729 1 17 VAL QG 1 20 LEU H 4.800 3.800 5.800 4.557 4.363 4.690 . 0 0 "[ . 1 . 2 . 3]" 1 730 1 17 VAL QG 1 20 LEU H 3.900 3.100 4.700 3.170 2.569 3.530 0.531 14 1 "[ . 1 +. 2 . 3]" 1 731 1 17 VAL QG 1 21 ALA H 4.700 3.800 5.600 4.036 3.808 4.234 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 17 VAL QG 1 210 PHE QE 3.600 2.900 4.300 2.199 2.042 2.805 0.858 17 28 [****************+**2****.*-***] 1 733 1 17 VAL QG 1 210 PHE HZ 3.800 3.000 4.600 2.870 2.443 3.229 0.557 1 1 "[+ . 1 . 2 . 3]" 1 734 1 17 VAL QG 1 210 PHE HZ 4.000 3.200 4.800 2.922 2.464 3.365 0.736 1 5 "[+ * . 1 *- * . 3]" 1 735 1 18 GLY H 1 19 THR H 3.700 3.000 3.800 2.684 2.611 2.773 0.389 2 0 "[ . 1 . 2 . 3]" 1 736 1 18 GLY H 1 19 THR MG 3.800 3.000 4.600 3.332 2.944 4.001 0.056 23 0 "[ . 1 . 2 . 3]" 1 737 1 18 GLY H 1 20 LEU H 4.000 3.200 4.800 3.991 3.816 4.092 . 0 0 "[ . 1 . 2 . 3]" 1 738 1 18 GLY H 1 20 LEU QB 4.100 3.300 4.900 4.313 4.090 4.435 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 18 GLY H 1 21 ALA H 4.600 3.700 5.500 4.734 4.575 4.847 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 18 GLY H 1 151 GLN QE 3.800 3.000 4.600 4.725 3.615 5.405 0.805 4 3 "[ +. 1 *. 2- . 3]" 1 741 1 18 GLY H 1 210 PHE QE 5.000 4.000 6.000 5.225 4.664 5.647 . 0 0 "[ . 1 . 2 . 3]" 1 742 1 18 GLY QA 1 21 ALA MB 3.600 2.900 4.300 2.232 2.004 2.334 0.896 2 30 [*+***********************-****] 1 743 1 18 GLY QA 1 22 PHE H 3.100 2.500 3.700 2.557 2.486 2.633 0.014 3 0 "[ . 1 . 2 . 3]" 1 744 1 18 GLY QA 1 181 GLY H 4.200 3.400 5.000 4.839 4.672 5.227 0.227 13 0 "[ . 1 . 2 . 3]" 1 745 1 18 GLY QA 1 184 GLY H 3.600 2.900 4.300 5.816 5.633 5.995 1.695 22 30 [*********************+*-******] 1 746 1 18 GLY QA 1 94 ASP H 4.400 3.500 5.300 3.836 2.093 5.403 1.407 28 5 "[ *. - *1 * . 2 . + 3]" 1 747 1 18 GLY QA 1 70 VAL QG 4.200 3.400 5.000 2.352 2.055 2.590 1.345 7 30 [****-*+***********************] 1 748 1 18 GLY QA 1 210 PHE QE 4.200 3.400 5.000 3.521 3.173 3.663 0.227 13 0 "[ . 1 . 2 . 3]" 1 749 1 18 GLY QA 1 210 PHE HZ 4.500 3.600 5.400 4.364 3.873 4.671 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 19 THR H 1 19 THR HA 3.200 2.600 3.800 2.749 2.739 2.765 . 0 0 "[ . 1 . 2 . 3]" 1 751 1 19 THR H 1 19 THR MG 4.200 3.400 5.000 3.735 3.671 3.753 . 0 0 "[ . 1 . 2 . 3]" 1 752 1 19 THR H 1 19 THR MG 3.300 2.600 4.000 3.536 3.420 3.639 . 0 0 "[ . 1 . 2 . 3]" 1 753 1 19 THR H 1 20 LEU H 3.100 2.500 3.700 2.869 2.789 2.938 . 0 0 "[ . 1 . 2 . 3]" 1 754 1 19 THR H 1 21 ALA H 4.400 3.500 5.300 4.219 3.925 4.419 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 19 THR H 1 22 PHE QD 4.200 3.400 5.000 4.667 4.449 4.979 . 0 0 "[ . 1 . 2 . 3]" 1 756 1 19 THR H 1 23 ALA MB 3.800 3.000 4.600 4.788 4.499 5.002 0.402 16 0 "[ . 1 . 2 . 3]" 1 757 1 19 THR HA 1 19 THR MG 4.400 3.500 5.300 2.348 2.283 2.648 1.217 6 30 [*****+**************-*********] 1 758 1 19 THR HA 1 22 PHE QD 4.400 3.500 5.300 2.147 2.047 2.321 1.453 7 30 [*-****+***********************] 1 759 1 19 THR HA 1 23 ALA H 4.100 3.300 4.900 3.325 3.277 3.361 0.023 29 0 "[ . 1 . 2 . 3]" 1 760 1 19 THR HA 1 41 VAL QG 5.100 4.100 6.100 2.911 2.427 3.394 1.673 2 30 [*+************-***************] 1 761 1 19 THR HA 1 44 SER H 4.200 3.400 5.000 5.103 4.838 5.366 0.366 27 0 "[ . 1 . 2 . 3]" 1 762 1 19 THR HB 1 20 LEU H 3.600 2.900 4.300 2.494 2.259 2.691 0.641 6 5 "[ * .+ 1 -* . * 2 . 3]" 1 763 1 19 THR HB 1 45 GLY H 3.900 3.100 4.700 3.443 3.388 3.474 . 0 0 "[ . 1 . 2 . 3]" 1 764 1 19 THR HB 1 218 THR H 5.200 4.200 6.200 4.455 4.022 4.600 0.178 13 0 "[ . 1 . 2 . 3]" 1 765 1 19 THR HB 1 209 GLY H 4.300 3.400 5.200 5.110 5.011 5.248 0.048 16 0 "[ . 1 . 2 . 3]" 1 766 1 19 THR HB 1 150 SER H 4.800 3.800 5.800 5.218 5.134 5.295 . 0 0 "[ . 1 . 2 . 3]" 1 767 1 19 THR MG 1 20 LEU H 4.000 3.200 4.800 3.504 2.891 3.615 0.309 21 0 "[ . 1 . 2 . 3]" 1 768 1 19 THR MG 1 20 LEU H 3.900 3.100 4.700 3.477 2.885 3.584 0.215 21 0 "[ . 1 . 2 . 3]" 1 769 1 19 THR MG 1 22 PHE QD 4.800 3.800 5.800 2.758 2.548 2.892 1.252 20 30 [*****************-*+**********] 1 770 1 19 THR MG 1 66 ARG H 3.400 2.700 4.100 4.160 4.027 4.393 0.293 17 0 "[ . 1 . 2 . 3]" 1 771 1 19 THR MG 1 22 PHE QD 5.900 4.700 7.100 4.653 4.283 5.061 0.417 30 0 "[ . 1 . 2 . 3]" 1 772 1 19 THR MG 1 41 VAL HA 3.700 3.000 4.400 2.134 2.119 2.149 0.881 8 30 [*******+******-***************] 1 773 1 19 THR MG 1 41 VAL QG 3.500 2.800 3.500 2.244 1.798 2.757 1.002 11 17 "[** *** * 1+ *.* **** -*** 3]" 1 774 1 19 THR MG 1 44 SER H 3.900 3.100 4.700 4.232 4.084 4.372 . 0 0 "[ . 1 . 2 . 3]" 1 775 1 19 THR MG 1 45 GLY H 3.900 3.100 4.700 3.586 3.471 3.729 . 0 0 "[ . 1 . 2 . 3]" 1 776 1 19 THR MG 1 45 GLY H 4.400 3.500 5.300 4.138 3.861 4.506 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 19 THR MG 1 48 ALA H 4.600 3.700 5.500 5.881 5.567 6.059 0.559 21 18 "[***** * 1* *.* **+* * ***-]" 1 778 1 19 THR MG 1 48 ALA H 4.100 3.300 4.900 4.582 4.395 4.784 . 0 0 "[ . 1 . 2 . 3]" 1 779 1 19 THR MG 1 48 ALA MB 4.300 3.400 5.200 4.114 3.642 4.424 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 20 LEU H 1 20 LEU HA 3.300 2.600 4.000 2.681 2.661 2.699 . 0 0 "[ . 1 . 2 . 3]" 1 781 1 20 LEU H 1 20 LEU QB 2.900 2.300 3.500 2.142 2.062 2.233 0.238 2 0 "[ . 1 . 2 . 3]" 1 782 1 20 LEU H 1 20 LEU QB 3.600 2.900 4.300 2.197 2.116 2.301 0.784 21 30 [*-******************+*********] 1 783 1 20 LEU H 1 20 LEU QB 3.400 2.700 4.100 2.374 2.253 2.464 0.447 21 0 "[ . 1 . 2 . 3]" 1 784 1 20 LEU H 1 20 LEU MD1 3.300 2.600 4.000 3.698 3.524 3.884 . 0 0 "[ . 1 . 2 . 3]" 1 785 1 20 LEU H 1 20 LEU MD2 3.300 2.600 4.000 3.346 1.992 3.560 0.608 21 1 "[ . 1 . 2+ . 3]" 1 786 1 20 LEU H 1 20 LEU HG 3.300 2.600 4.000 2.460 2.207 3.482 0.393 6 0 "[ . 1 . 2 . 3]" 1 787 1 20 LEU H 1 22 PHE H 3.000 2.400 3.600 2.684 2.606 2.870 . 0 0 "[ . 1 . 2 . 3]" 1 788 1 20 LEU H 1 23 ALA H 4.300 3.400 5.200 3.835 3.724 4.034 . 0 0 "[ . 1 . 2 . 3]" 1 789 1 20 LEU H 1 221 ALA H 5.200 4.200 6.200 3.875 3.618 4.094 0.582 30 3 "[ -. 1 . * . +]" 1 790 1 20 LEU HA 1 20 LEU QD 3.000 2.400 3.600 2.013 1.945 2.120 0.455 19 0 "[ . 1 . 2 . 3]" 1 791 1 20 LEU HA 1 21 ALA H 3.500 2.800 4.200 3.539 3.500 3.561 . 0 0 "[ . 1 . 2 . 3]" 1 792 1 20 LEU HA 1 22 PHE H 3.400 2.700 4.100 4.165 4.059 4.735 0.635 2 1 "[ + . 1 . 2 . 3]" 1 793 1 20 LEU HA 1 23 ALA H 3.700 3.000 4.400 2.688 2.649 2.738 0.351 10 0 "[ . 1 . 2 . 3]" 1 794 1 20 LEU HA 1 23 ALA MB 2.800 2.200 3.400 1.960 1.885 2.023 0.315 10 0 "[ . 1 . 2 . 3]" 1 795 1 20 LEU HA 1 23 ALA MB 3.500 2.800 4.200 2.302 2.105 2.531 0.695 10 17 "[** .** + * * *-** *** ** *]" 1 796 1 20 LEU HA 1 24 TRP H 3.800 3.000 4.600 3.450 3.308 3.748 . 0 0 "[ . 1 . 2 . 3]" 1 797 1 20 LEU QB 1 20 LEU MD1 2.500 . 3.000 1.680 1.676 1.682 0.324 21 0 "[ . 1 . 2 . 3]" 1 798 1 20 LEU QB 1 20 LEU MD1 2.700 2.200 3.200 1.788 1.746 1.800 0.454 18 0 "[ . 1 . 2 . 3]" 1 799 1 20 LEU QB 1 20 LEU MD2 3.000 2.400 3.600 2.315 2.273 2.538 0.127 13 0 "[ . 1 . 2 . 3]" 1 800 1 20 LEU QB 1 20 LEU MD2 2.700 2.200 3.200 1.966 1.952 2.013 0.248 13 0 "[ . 1 . 2 . 3]" 1 801 1 20 LEU QB 1 21 ALA H 3.300 2.600 4.000 2.557 2.428 2.715 0.172 8 0 "[ . 1 . 2 . 3]" 1 802 1 20 LEU QB 1 21 ALA H 3.400 2.700 4.100 2.574 2.439 2.744 0.261 8 0 "[ . 1 . 2 . 3]" 1 803 1 20 LEU QB 1 21 ALA H 2.900 2.300 3.500 2.100 2.063 2.137 0.237 8 0 "[ . 1 . 2 . 3]" 1 804 1 20 LEU QB 1 21 ALA HA 3.000 2.400 3.600 2.115 2.110 2.118 0.290 6 0 "[ . 1 . 2 . 3]" 1 805 1 20 LEU QB 1 22 PHE H 2.800 2.200 3.400 2.695 2.240 2.788 . 0 0 "[ . 1 . 2 . 3]" 1 806 1 20 LEU QB 1 184 GLY H 4.000 3.200 4.800 4.374 3.904 4.942 0.142 11 0 "[ . 1 . 2 . 3]" 1 807 1 20 LEU QB 1 185 VAL H 4.200 3.400 5.000 4.544 3.714 5.287 0.287 24 0 "[ . 1 . 2 . 3]" 1 808 1 20 LEU QB 1 132 VAL H 4.200 3.400 5.000 4.582 4.181 4.739 . 0 0 "[ . 1 . 2 . 3]" 1 809 1 20 LEU QB 1 198 VAL H 3.700 3.000 4.400 4.401 4.322 4.457 0.057 1 0 "[ . 1 . 2 . 3]" 1 810 1 20 LEU QB 1 199 TYR H 3.900 3.100 4.700 4.517 4.452 4.618 . 0 0 "[ . 1 . 2 . 3]" 1 811 1 20 LEU QB 1 22 PHE H 3.500 2.800 4.200 4.616 4.485 5.101 0.901 2 5 "[ + .* ** - . 2 . 3]" 1 812 1 20 LEU QB 1 23 ALA MB 3.600 2.900 4.300 4.098 3.811 4.426 0.126 8 0 "[ . 1 . 2 . 3]" 1 813 1 20 LEU QB 1 24 TRP H 3.600 2.900 4.300 4.059 3.884 4.273 . 0 0 "[ . 1 . 2 . 3]" 1 814 1 20 LEU QB 1 24 TRP QB 4.800 3.800 5.800 3.780 3.590 3.953 0.210 18 0 "[ . 1 . 2 . 3]" 1 815 1 20 LEU QD 1 23 ALA MB 3.300 2.600 4.000 2.625 2.263 2.961 0.337 15 0 "[ . 1 . 2 . 3]" 1 816 1 21 ALA H 1 21 ALA HA 3.500 2.800 3.800 2.796 2.767 2.817 0.033 6 0 "[ . 1 . 2 . 3]" 1 817 1 21 ALA H 1 21 ALA MB 3.100 2.500 3.700 2.228 2.208 2.235 0.292 6 0 "[ . 1 . 2 . 3]" 1 818 1 21 ALA H 1 22 PHE H 3.400 2.700 4.100 2.721 2.638 2.899 0.062 19 0 "[ . 1 . 2 . 3]" 1 819 1 21 ALA H 1 22 PHE HA 4.500 3.600 5.400 5.327 5.264 5.443 0.043 2 0 "[ . 1 . 2 . 3]" 1 820 1 21 ALA H 1 22 PHE QD 4.800 3.800 5.800 4.910 4.755 5.059 . 0 0 "[ . 1 . 2 . 3]" 1 821 1 21 ALA H 1 23 ALA H 4.200 3.400 5.000 4.102 3.911 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 822 1 21 ALA H 1 23 ALA MB 4.100 3.300 4.900 4.766 4.441 4.997 0.097 8 0 "[ . 1 . 2 . 3]" 1 823 1 21 ALA H 1 210 PHE HZ 4.400 3.500 5.300 6.030 5.991 6.059 0.759 8 30 [*******+******************-***] 1 824 1 21 ALA HA 1 22 PHE H 3.000 2.400 3.600 3.513 3.490 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 825 1 21 ALA HA 1 22 PHE H 3.600 2.900 4.300 3.219 3.188 3.256 . 0 0 "[ . 1 . 2 . 3]" 1 826 1 21 ALA HA 1 23 ALA H 3.200 2.600 3.800 2.810 2.783 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 827 1 21 ALA HA 1 24 TRP H 3.400 2.700 4.100 3.375 3.342 3.398 . 0 0 "[ . 1 . 2 . 3]" 1 828 1 21 ALA HA 1 25 ALA H 3.900 3.100 4.700 3.879 3.765 3.952 . 0 0 "[ . 1 . 2 . 3]" 1 829 1 21 ALA HA 1 24 TRP QB 3.900 3.100 4.700 3.542 3.190 4.260 . 0 0 "[ . 1 . 2 . 3]" 1 830 1 21 ALA MB 1 22 PHE H 3.400 2.700 4.100 2.702 2.238 2.801 0.462 2 0 "[ . 1 . 2 . 3]" 1 831 1 21 ALA MB 1 22 PHE HA 4.800 3.900 5.800 3.915 3.787 3.942 0.113 2 0 "[ . 1 . 2 . 3]" 1 832 1 21 ALA MB 1 22 PHE QD 4.000 3.200 4.800 2.876 2.713 3.073 0.487 20 0 "[ . 1 . 2 . 3]" 1 833 1 21 ALA MB 1 23 ALA H 3.800 3.000 4.600 2.804 2.548 3.094 0.452 8 0 "[ . 1 . 2 . 3]" 1 834 1 21 ALA MB 1 25 ALA H 4.800 3.800 5.800 4.990 4.717 5.068 . 0 0 "[ . 1 . 2 . 3]" 1 835 1 21 ALA MB 1 25 ALA MB 4.000 3.200 4.800 4.242 3.842 4.334 . 0 0 "[ . 1 . 2 . 3]" 1 836 1 21 ALA MB 1 210 PHE QD 5.000 4.000 6.000 4.253 3.919 4.498 0.081 20 0 "[ . 1 . 2 . 3]" 1 837 1 21 ALA MB 1 210 PHE QE 4.100 3.300 4.900 3.300 2.983 3.560 0.317 14 0 "[ . 1 . 2 . 3]" 1 838 1 21 ALA MB 1 210 PHE HZ 3.400 2.800 4.100 3.524 3.166 3.767 . 0 0 "[ . 1 . 2 . 3]" 1 839 1 21 ALA MB 1 213 LEU QD 4.000 3.200 4.800 2.290 2.019 2.858 1.181 20 28 "[* *** -************+**********]" 1 840 1 22 PHE H 1 22 PHE HA 3.200 2.600 3.800 2.907 2.848 2.915 . 0 0 "[ . 1 . 2 . 3]" 1 841 1 22 PHE H 1 22 PHE QB 3.800 3.000 4.600 2.584 2.513 2.661 0.487 7 0 "[ . 1 . 2 . 3]" 1 842 1 22 PHE H 1 22 PHE QD . 3.600 4.000 3.148 2.992 3.261 0.608 2 7 "[ + -* 1 * . * * .* 3]" 1 843 1 22 PHE H 1 22 PHE QE 6.000 4.800 7.200 4.461 4.168 4.622 0.632 2 1 "[ + . 1 . 2 . 3]" 1 844 1 22 PHE H 1 23 ALA H 3.100 2.500 3.700 2.304 2.241 2.536 0.259 30 0 "[ . 1 . 2 . 3]" 1 845 1 22 PHE H 1 23 ALA H 3.300 2.600 4.000 2.169 2.111 2.331 0.489 30 0 "[ . 1 . 2 . 3]" 1 846 1 22 PHE H 1 23 ALA MB 3.800 3.000 4.600 4.014 3.957 4.226 . 0 0 "[ . 1 . 2 . 3]" 1 847 1 22 PHE H 1 23 ALA MB 3.400 2.700 4.100 2.294 2.229 2.348 0.471 2 0 "[ . 1 . 2 . 3]" 1 848 1 22 PHE H 1 38 VAL QG 3.500 2.800 4.200 1.857 1.721 2.080 1.079 16 30 [***************+**********-***] 1 849 1 22 PHE H 1 40 LEU QD 5.100 4.100 6.100 4.823 4.667 5.079 . 0 0 "[ . 1 . 2 . 3]" 1 850 1 22 PHE H 1 41 VAL QG 4.100 3.300 4.900 3.727 3.482 3.942 . 0 0 "[ . 1 . 2 . 3]" 1 851 1 22 PHE H 1 41 VAL QG 3.900 3.100 4.700 3.314 3.200 3.417 . 0 0 "[ . 1 . 2 . 3]" 1 852 1 22 PHE HA 1 22 PHE QD 4.200 3.400 5.000 2.193 2.063 2.371 1.337 3 30 [*-+***************************] 1 853 1 22 PHE HA 1 23 ALA H 4.900 3.900 5.900 3.504 3.474 3.551 0.426 30 0 "[ . 1 . 2 . 3]" 1 854 1 22 PHE HA 1 23 ALA MB 5.300 4.200 6.400 5.006 4.974 5.035 . 0 0 "[ . 1 . 2 . 3]" 1 855 1 22 PHE HA 1 24 TRP H 4.500 3.600 5.400 4.721 4.599 4.845 . 0 0 "[ . 1 . 2 . 3]" 1 856 1 22 PHE HA 1 25 ALA H 4.200 3.400 5.000 3.726 3.529 3.959 . 0 0 "[ . 1 . 2 . 3]" 1 857 1 22 PHE HA 1 25 ALA MB 4.100 3.800 4.900 2.846 2.422 3.129 1.378 2 30 [*+*************-**************] 1 858 1 22 PHE HA 1 26 GLY H 5.000 4.000 5.800 4.045 3.731 4.328 0.269 1 0 "[ . 1 . 2 . 3]" 1 859 1 22 PHE HA 1 37 TYR QD 5.900 4.700 7.100 3.748 3.374 4.415 1.326 1 28 "[+ *** *********************-**]" 1 860 1 22 PHE HA 1 213 LEU QD 4.200 3.600 5.000 2.224 1.893 2.498 1.707 2 30 [*+****-***********************] 1 861 1 22 PHE QB 1 23 ALA H 4.000 3.200 4.800 2.747 2.471 2.878 0.729 8 8 "[ *. + 1*-* . * 2 * * 3]" 1 862 1 22 PHE QB 1 23 ALA H 3.700 3.000 4.400 2.717 2.459 2.844 0.541 8 1 "[ . + 1 . 2 . 3]" 1 863 1 22 PHE QB 1 23 ALA MB 4.000 3.200 4.800 3.518 3.051 3.786 0.149 17 0 "[ . 1 . 2 . 3]" 1 864 1 22 PHE QB 1 25 ALA MB 4.300 3.400 5.200 3.783 3.643 3.858 . 0 0 "[ . 1 . 2 . 3]" 1 865 1 22 PHE QB 1 26 GLY H 4.600 3.700 5.500 4.199 4.099 4.547 . 0 0 "[ . 1 . 2 . 3]" 1 866 1 22 PHE QB 1 131 ALA H 3.200 2.600 3.800 4.414 4.335 4.541 0.741 17 30 [****************+*****-*******] 1 867 1 22 PHE QB 1 132 VAL H 4.100 3.300 4.900 4.645 4.569 4.703 . 0 0 "[ . 1 . 2 . 3]" 1 868 1 22 PHE QB 1 25 ALA MB 4.800 3.800 5.800 4.434 3.957 4.688 . 0 0 "[ . 1 . 2 . 3]" 1 869 1 22 PHE QB 1 40 LEU QD 4.400 3.500 5.300 2.425 2.032 2.834 1.468 6 30 [*****+***********************-] 1 870 1 22 PHE QB 1 40 LEU QD 4.500 3.600 5.400 2.414 2.029 2.801 1.571 6 30 [*****+***********************-] 1 871 1 22 PHE QB 1 41 VAL QG 3.700 3.400 4.400 1.803 1.720 1.979 1.680 27 30 [*****-********************+***] 1 872 1 22 PHE QB 1 187 LEU QD 3.900 3.100 4.700 3.260 2.667 3.477 0.433 2 0 "[ . 1 . 2 . 3]" 1 873 1 22 PHE QR 1 40 LEU QD 5.000 4.000 6.000 2.450 2.208 2.555 1.792 21 30 [********-***********+*********] 1 874 1 22 PHE QD 1 23 ALA H 5.200 4.200 5.300 4.329 4.216 4.449 . 0 0 "[ . 1 . 2 . 3]" 1 875 1 22 PHE QD 1 176 PHE H 4.600 3.700 5.500 5.545 5.027 5.718 0.218 5 0 "[ . 1 . 2 . 3]" 1 876 1 22 PHE QD 1 114 ALA H 4.300 3.400 5.200 5.073 4.928 5.276 0.076 16 0 "[ . 1 . 2 . 3]" 1 877 1 22 PHE QD 1 25 ALA MB 5.600 4.500 6.700 4.063 3.713 4.337 0.787 6 7 "[ ** *+* 1- *. 2 . 3]" 1 878 1 22 PHE QD 1 40 LEU QD 6.400 5.100 7.700 2.698 2.432 2.850 2.668 21 30 [**-*****************+*********] 1 879 1 22 PHE QD 1 41 VAL H 4.100 3.300 4.900 4.296 3.823 4.544 . 0 0 "[ . 1 . 2 . 3]" 1 880 1 22 PHE QD 1 41 VAL HA 4.500 3.600 5.400 2.606 2.382 2.951 1.218 30 30 [******-**********************+] 1 881 1 22 PHE QD 1 41 VAL QG 4.600 3.700 5.500 3.121 2.783 3.346 0.917 20 20 "[** *** 1* **.* *+**-***** *]" 1 882 1 22 PHE QD 1 126 LEU HG 4.500 3.600 5.400 2.432 1.937 2.763 1.663 5 30 [**-*+*************************] 1 883 1 22 PHE QD 1 213 LEU QD 3.700 3.200 4.400 1.830 1.686 2.074 1.514 3 30 [**+*********-*****************] 1 884 1 22 PHE QE 1 70 VAL QG 4.000 3.200 4.800 2.496 1.875 2.780 1.325 13 26 "[* **.*******+*- ***** ********]" 1 885 1 22 PHE QE 1 209 GLY H 4.200 3.400 5.000 4.490 4.188 4.788 . 0 0 "[ . 1 . 2 . 3]" 1 886 1 22 PHE QE 1 210 PHE H 4.200 3.400 5.000 3.633 3.302 3.979 0.098 9 0 "[ . 1 . 2 . 3]" 1 887 1 22 PHE QE 1 213 LEU H 5.100 4.100 6.100 4.413 4.029 4.864 0.071 25 0 "[ . 1 . 2 . 3]" 1 888 1 23 ALA H 1 23 ALA HA 3.700 3.000 4.400 2.835 2.803 2.858 0.197 8 0 "[ . 1 . 2 . 3]" 1 889 1 23 ALA H 1 23 ALA MB 3.100 2.500 3.700 2.228 2.192 2.245 0.308 6 0 "[ . 1 . 2 . 3]" 1 890 1 23 ALA H 1 23 ALA MB 3.100 2.500 3.700 2.224 2.188 2.241 0.312 6 0 "[ . 1 . 2 . 3]" 1 891 1 23 ALA H 1 24 TRP H 3.500 2.800 4.200 2.683 2.609 2.786 0.191 5 0 "[ . 1 . 2 . 3]" 1 892 1 23 ALA H 1 25 ALA H 4.600 3.700 5.500 4.086 3.893 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 893 1 23 ALA H 1 41 VAL HB 4.200 3.400 5.000 2.760 2.702 2.781 0.698 28 30 [************-**************+**] 1 894 1 23 ALA H 1 41 VAL QG 3.700 3.000 4.400 2.673 2.476 2.875 0.524 8 1 "[ . + 1 . 2 . 3]" 1 895 1 23 ALA HA 1 24 TRP H 3.700 3.000 4.400 3.439 3.385 3.472 . 0 0 "[ . 1 . 2 . 3]" 1 896 1 23 ALA HA 1 26 GLY H 3.700 3.000 4.400 3.579 3.296 4.701 0.301 6 0 "[ . 1 . 2 . 3]" 1 897 1 23 ALA HA 1 27 ARG QG 3.300 2.600 4.000 2.357 2.006 2.712 0.594 12 3 "[ . *- 1 + . 2 . 3]" 1 898 1 23 ALA HA 1 41 VAL QG 4.700 3.800 5.600 2.372 2.010 2.776 1.790 12 30 [***********+*****************-] 1 899 1 23 ALA MB 1 24 TRP H 3.600 2.900 4.300 2.315 2.246 2.372 0.654 2 30 [*+*****************-**********] 1 900 1 23 ALA MB 1 24 TRP HA 4.300 3.400 5.200 3.765 3.734 3.796 . 0 0 "[ . 1 . 2 . 3]" 1 901 1 23 ALA MB 1 24 TRP QB 4.700 4.300 5.600 3.627 3.174 3.722 1.126 6 30 [***-*+************************] 1 902 1 23 ALA MB 1 25 ALA H 4.800 3.800 5.800 4.465 4.237 4.652 . 0 0 "[ . 1 . 2 . 3]" 1 903 1 23 ALA MB 1 26 GLY H 4.700 3.800 5.600 4.505 4.332 5.312 . 0 0 "[ . 1 . 2 . 3]" 1 904 1 23 ALA MB 1 44 SER H 3.600 2.900 4.300 4.183 4.010 4.358 0.058 23 0 "[ . 1 . 2 . 3]" 1 905 1 23 ALA MB 1 76 TRP H 3.900 3.100 4.700 4.628 4.496 4.937 0.237 23 0 "[ . 1 . 2 . 3]" 1 906 1 23 ALA MB 1 208 PHE H 4.600 3.700 5.500 5.161 4.530 5.644 0.144 28 0 "[ . 1 . 2 . 3]" 1 907 1 23 ALA MB 1 129 MET H 4.200 3.400 5.000 4.959 4.879 5.069 0.069 5 0 "[ . 1 . 2 . 3]" 1 908 1 23 ALA MB 1 165 ASN H 3.600 2.900 4.300 4.579 4.357 4.796 0.496 6 0 "[ . 1 . 2 . 3]" 1 909 1 23 ALA MB 1 41 VAL HB 4.100 3.300 4.900 4.001 3.633 4.496 . 0 0 "[ . 1 . 2 . 3]" 1 910 1 23 ALA MB 1 41 VAL QG 3.800 3.100 4.300 2.432 2.149 2.805 0.951 16 24 "[ ***-*********.+***2** *** **3]" 1 911 1 24 TRP H 1 24 TRP HA 3.200 2.600 3.800 2.809 2.786 2.867 . 0 0 "[ . 1 . 2 . 3]" 1 912 1 24 TRP H 1 24 TRP HA 3.300 2.600 4.000 2.707 2.687 2.738 . 0 0 "[ . 1 . 2 . 3]" 1 913 1 24 TRP H 1 24 TRP QB 3.100 2.500 3.700 2.091 2.064 2.248 0.436 11 0 "[ . 1 . 2 . 3]" 1 914 1 24 TRP H 1 24 TRP QB 3.600 3.000 4.300 2.036 2.005 2.176 0.995 20 30 [*****-*************+**********] 1 915 1 24 TRP H 1 24 TRP HE3 3.800 3.100 4.600 5.097 4.203 5.245 0.645 4 26 "[* *+* ***** *-************** *]" 1 916 1 24 TRP H 1 26 GLY H 3.400 2.700 4.100 2.479 2.347 2.908 0.353 5 0 "[ . 1 . 2 . 3]" 1 917 1 24 TRP H 1 27 ARG H 4.700 3.800 5.600 4.081 3.533 4.323 0.267 2 0 "[ . 1 . 2 . 3]" 1 918 1 24 TRP H 1 25 ALA MB 4.400 3.500 5.300 4.413 4.067 4.509 . 0 0 "[ . 1 . 2 . 3]" 1 919 1 24 TRP H 1 26 GLY H 4.800 3.800 5.800 3.875 3.724 4.474 0.076 20 0 "[ . 1 . 2 . 3]" 1 920 1 24 TRP HA 1 24 TRP HD1 4.000 3.200 4.800 4.776 4.515 4.820 0.020 21 0 "[ . 1 . 2 . 3]" 1 921 1 24 TRP HA 1 24 TRP HE3 3.500 2.900 4.200 2.636 1.756 2.905 1.144 6 2 "[ - .+ 1 . 2 . 3]" 1 922 1 24 TRP HA 1 24 TRP HZ3 4.500 3.600 5.400 4.971 4.077 5.219 . 0 0 "[ . 1 . 2 . 3]" 1 923 1 24 TRP HA 1 25 ALA H 3.700 3.000 4.400 3.544 3.459 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 924 1 24 TRP HA 1 25 ALA HA 3.600 2.900 4.300 4.726 4.680 4.893 0.593 6 2 "[ - .+ 1 . 2 . 3]" 1 925 1 24 TRP HA 1 26 GLY H 3.900 3.100 4.700 4.074 3.913 4.211 . 0 0 "[ . 1 . 2 . 3]" 1 926 1 24 TRP HA 1 27 ARG H 3.600 2.900 4.300 3.673 2.695 3.884 0.205 2 0 "[ . 1 . 2 . 3]" 1 927 1 24 TRP HA 1 27 ARG H 3.900 3.100 4.700 3.585 2.686 3.787 0.414 2 0 "[ . 1 . 2 . 3]" 1 928 1 24 TRP HA 1 27 ARG QB 4.200 3.400 4.600 3.715 3.070 4.622 0.330 11 0 "[ . 1 . 2 . 3]" 1 929 1 24 TRP HA 1 27 ARG QG 3.800 3.000 4.600 2.781 2.340 3.103 0.660 3 5 "[ + * 1 *. 2* . - 3]" 1 930 1 24 TRP HA 1 28 ASP QB 4.400 3.700 5.300 5.239 4.973 5.357 0.057 6 0 "[ . 1 . 2 . 3]" 1 931 1 24 TRP QB 1 25 ALA H 3.500 2.800 4.200 2.815 2.642 3.011 0.158 29 0 "[ . 1 . 2 . 3]" 1 932 1 24 TRP QB 1 25 ALA HA 4.400 3.500 5.300 4.549 4.023 4.645 . 0 0 "[ . 1 . 2 . 3]" 1 933 1 24 TRP QB 1 25 ALA MB 5.400 4.600 6.500 4.118 4.023 4.275 0.577 29 15 "[* *. * ** * * * **- **+*]" 1 934 1 24 TRP QB 1 27 ARG H 3.700 3.000 4.400 4.509 4.014 4.724 0.324 18 0 "[ . 1 . 2 . 3]" 1 935 1 24 TRP QB 1 27 ARG QG 4.200 3.400 5.000 4.872 3.902 5.340 0.340 26 0 "[ . 1 . 2 . 3]" 1 936 1 24 TRP HD1 1 25 ALA H 3.700 3.300 4.400 3.472 2.891 5.223 0.823 2 2 "[ + .- 1 . 2 . 3]" 1 937 1 24 TRP HD1 1 25 ALA HA 4.000 3.300 4.800 4.329 3.997 5.269 0.469 6 0 "[ . 1 . 2 . 3]" 1 938 1 24 TRP HD1 1 25 ALA MB 4.800 3.800 5.800 3.518 2.941 5.963 0.859 4 11 "[ +. **1 * **** * - * 3]" 1 939 1 24 TRP HD1 1 115 GLY H 3.800 3.000 4.600 3.457 3.342 3.658 . 0 0 "[ . 1 . 2 . 3]" 1 940 1 24 TRP HE3 1 27 ARG QB 4.000 3.200 4.800 4.259 3.448 5.325 0.525 27 1 "[ . 1 . 2 . + 3]" 1 941 1 24 TRP HE3 1 28 ASP QB 4.600 3.700 5.500 4.623 3.978 4.994 . 0 0 "[ . 1 . 2 . 3]" 1 942 1 24 TRP HH2 1 24 TRP HZ3 2.500 . 3.000 2.442 2.441 2.444 . 0 0 "[ . 1 . 2 . 3]" 1 943 1 24 TRP HH2 1 28 ASP QB 4.700 3.800 5.500 4.356 3.429 4.838 0.371 2 0 "[ . 1 . 2 . 3]" 1 944 1 24 TRP HZ2 1 28 ASP QB 4.500 3.900 5.400 4.892 4.201 5.388 . 0 0 "[ . 1 . 2 . 3]" 1 945 1 24 TRP HZ3 1 28 ASP QB 4.700 3.800 5.300 4.123 2.163 4.712 1.637 2 2 "[ + .- 1 . 2 . 3]" 1 946 1 25 ALA H 1 25 ALA HA 3.400 2.700 3.800 2.849 2.731 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 947 1 25 ALA H 1 25 ALA MB 3.200 2.900 3.800 2.253 2.216 2.286 0.684 2 30 [*+***************************-] 1 948 1 25 ALA H 1 26 GLY H 3.700 3.000 4.400 2.509 2.370 2.946 0.630 5 17 "[ * + **** ** -*2*** .*** *]" 1 949 1 25 ALA H 1 26 GLY QA 4.600 3.700 5.500 4.394 4.268 4.760 . 0 0 "[ . 1 . 2 . 3]" 1 950 1 25 ALA H 1 27 ARG H 4.200 3.400 5.000 4.353 3.681 4.680 . 0 0 "[ . 1 . 2 . 3]" 1 951 1 25 ALA H 1 37 TYR QE 5.300 4.200 6.400 5.621 4.946 6.001 . 0 0 "[ . 1 . 2 . 3]" 1 952 1 25 ALA H 1 213 LEU QD 4.600 3.700 5.500 3.894 3.686 4.090 0.014 2 0 "[ . 1 . 2 . 3]" 1 953 1 25 ALA HA 1 26 GLY H 4.100 3.300 4.200 3.449 3.385 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 954 1 25 ALA HA 1 27 ARG H 3.200 2.600 3.800 2.752 2.227 2.842 0.373 6 0 "[ . 1 . 2 . 3]" 1 955 1 25 ALA HA 1 27 ARG QB 3.200 2.600 3.800 2.339 2.176 2.512 0.424 3 0 "[ . 1 . 2 . 3]" 1 956 1 25 ALA MB 1 26 GLY H 3.700 3.000 4.400 2.890 2.340 3.070 0.660 2 2 "[ + .- 1 . 2 . 3]" 1 957 1 25 ALA MB 1 26 GLY H 3.400 2.700 4.100 2.862 2.335 3.040 0.365 2 0 "[ . 1 . 2 . 3]" 1 958 1 25 ALA MB 1 26 GLY QA 4.600 3.700 5.500 3.577 3.480 3.633 0.220 6 0 "[ . 1 . 2 . 3]" 1 959 1 25 ALA MB 1 27 ARG H 3.600 2.900 4.300 2.503 2.368 3.060 0.532 1 2 "[+ . 1 - . 2 . 3]" 1 960 1 25 ALA MB 1 37 TYR QD 4.200 3.500 5.000 3.797 3.148 4.437 0.352 26 0 "[ . 1 . 2 . 3]" 1 961 1 25 ALA MB 1 37 TYR QE 4.000 3.200 4.700 3.017 2.453 3.636 0.747 26 5 "[ * 1* . -*2 .+ 3]" 1 962 1 25 ALA MB 1 40 LEU QD 6.200 5.000 7.400 4.933 4.498 5.282 0.502 5 1 "[ + 1 . 2 . 3]" 1 963 1 25 ALA MB 1 216 ALA MB 3.500 2.800 4.200 4.220 4.000 4.425 0.225 17 0 "[ . 1 . 2 . 3]" 1 964 1 25 ALA MB 1 213 LEU QD 3.700 3.000 4.400 2.024 1.719 2.242 1.281 2 30 [*+*************-**************] 1 965 1 25 ALA MB 1 217 ALA HA 4.200 3.500 5.000 6.026 5.894 6.083 1.083 21 30 [********************+***-*****] 1 966 1 26 GLY H 1 26 GLY QA 3.200 2.600 3.800 2.214 2.206 2.222 0.394 26 0 "[ . 1 . 2 . 3]" 1 967 1 26 GLY H 1 26 GLY QA 3.100 2.500 3.700 2.207 2.195 2.220 0.305 26 0 "[ . 1 . 2 . 3]" 1 968 1 26 GLY H 1 27 ARG H 3.800 3.000 4.600 2.587 2.360 2.711 0.640 2 2 "[ + .- 1 . 2 . 3]" 1 969 1 26 GLY H 1 27 ARG H 3.300 2.600 4.000 2.558 2.352 2.661 0.248 2 0 "[ . 1 . 2 . 3]" 1 970 1 26 GLY H 1 27 ARG QG 3.600 2.900 4.300 4.131 3.652 5.017 0.717 6 1 "[ .+ 1 . 2 . 3]" 1 971 1 26 GLY H 1 37 TYR QD 4.600 3.700 5.500 4.083 3.653 4.460 0.047 19 0 "[ . 1 . 2 . 3]" 1 972 1 26 GLY H 1 37 TYR QE 4.700 3.800 5.400 4.717 3.887 5.183 . 0 0 "[ . 1 . 2 . 3]" 1 973 1 26 GLY H 1 218 THR H 5.100 4.100 6.100 4.532 4.452 4.666 . 0 0 "[ . 1 . 2 . 3]" 1 974 1 26 GLY H 1 217 ALA H 5.300 4.200 6.400 5.776 5.698 5.823 . 0 0 "[ . 1 . 2 . 3]" 1 975 1 26 GLY QA 1 27 ARG H 4.000 3.300 4.800 2.637 2.540 2.792 0.760 8 30 [*-*****+**********************] 1 976 1 26 GLY QA 1 101 VAL H 4.900 3.900 5.900 4.932 4.826 5.084 . 0 0 "[ . 1 . 2 . 3]" 1 977 1 26 GLY QA 1 136 GLY H 4.700 3.800 5.600 4.528 4.363 4.787 . 0 0 "[ . 1 . 2 . 3]" 1 978 1 26 GLY QA 1 143 GLY H 4.300 3.400 5.200 5.442 5.283 5.542 0.342 1 0 "[ . 1 . 2 . 3]" 1 979 1 26 GLY QA 1 157 LYS H 4.300 3.400 5.200 4.752 4.355 5.060 . 0 0 "[ . 1 . 2 . 3]" 1 980 1 26 GLY QA 1 142 VAL H 4.000 3.200 4.800 4.668 4.268 4.984 0.184 10 0 "[ . 1 . 2 . 3]" 1 981 1 26 GLY QA 1 37 TYR QE 4.200 3.400 5.000 3.257 2.726 3.464 0.674 6 2 "[ .+ 1 . - . 3]" 1 982 1 27 ARG H 1 27 ARG HA 3.200 2.600 3.800 2.743 2.233 2.872 0.367 6 0 "[ . 1 . 2 . 3]" 1 983 1 27 ARG H 1 27 ARG QB 3.400 2.700 4.100 2.519 2.375 3.180 0.325 1 0 "[ . 1 . 2 . 3]" 1 984 1 27 ARG H 1 27 ARG QB 3.600 2.900 4.300 2.441 2.307 2.932 0.593 13 14 "[* *. ****+ . ***2* .- * *]" 1 985 1 27 ARG H 1 27 ARG QG 3.600 2.900 4.300 2.209 1.950 3.234 0.950 3 28 "[- +** ************************]" 1 986 1 27 ARG H 1 27 ARG QG 3.800 3.000 4.600 2.200 1.947 3.160 1.053 3 28 "[- +** ************************]" 1 987 1 27 ARG H 1 28 ASP H 3.100 2.500 3.700 2.497 2.000 2.941 0.500 19 0 "[ . 1 . 2 . 3]" 1 988 1 27 ARG H 1 28 ASP H 2.800 2.200 3.400 2.633 2.492 3.052 . 0 0 "[ . 1 . 2 . 3]" 1 989 1 27 ARG H 1 28 ASP QB 3.900 3.100 4.600 4.480 4.112 5.254 0.654 2 2 "[ + .- 1 . 2 . 3]" 1 990 1 27 ARG H 1 178 TRP HE1 4.200 3.400 5.000 5.526 5.247 5.710 0.710 3 17 "[* + * *- 1 **. **2***** ***]" 1 991 1 27 ARG HA 1 27 ARG QB 3.100 2.500 3.700 2.342 2.177 2.521 0.323 3 0 "[ . 1 . 2 . 3]" 1 992 1 27 ARG HA 1 27 ARG QB 2.900 2.300 3.500 2.193 2.063 2.349 0.237 3 0 "[ . 1 . 2 . 3]" 1 993 1 27 ARG HA 1 27 ARG QG 3.700 3.000 4.400 2.695 2.118 3.309 0.882 2 16 "[*+ .** *1** * **2 **-* **]" 1 994 1 27 ARG HA 1 28 ASP H 3.500 2.800 4.200 3.352 2.329 3.540 0.471 2 0 "[ . 1 . 2 . 3]" 1 995 1 27 ARG HA 1 28 ASP H 3.500 2.800 4.200 3.217 2.320 3.392 0.480 2 0 "[ . 1 . 2 . 3]" 1 996 1 27 ARG HA 1 28 ASP HA 4.000 3.200 4.800 4.582 4.414 4.785 . 0 0 "[ . 1 . 2 . 3]" 1 997 1 27 ARG HA 1 28 ASP QB 4.500 3.700 4.900 4.977 3.784 5.200 0.300 11 0 "[ . 1 . 2 . 3]" 1 998 1 27 ARG HA 1 29 ALA H 3.900 3.100 4.700 4.572 3.488 5.417 0.717 2 2 "[ + . 1 . - 2 . 3]" 1 999 1 27 ARG HA 1 110 LEU H 3.900 3.100 4.700 4.997 4.894 5.104 0.404 17 0 "[ . 1 . 2 . 3]" 1 1000 1 27 ARG HA 1 148 SER H 2.700 2.200 3.200 5.226 5.192 5.251 2.051 21 30 [******-*************+*********] 1 1001 1 27 ARG QB 1 27 ARG QD 2.900 2.300 3.500 2.318 2.105 2.800 0.195 2 0 "[ . 1 . 2 . 3]" 1 1002 1 27 ARG QB 1 28 ASP H 3.700 3.200 4.400 3.140 2.507 3.963 0.693 25 4 "[ . 1* .* 2 - + 3]" 1 1003 1 27 ARG QB 1 28 ASP QB 3.900 3.500 4.400 3.868 3.532 4.630 0.230 22 0 "[ . 1 . 2 . 3]" 1 1004 1 27 ARG QB 1 28 ASP QB 3.800 3.000 4.400 3.281 2.949 4.131 0.051 29 0 "[ . 1 . 2 . 3]" 1 1005 1 27 ARG QG 1 28 ASP H 3.700 3.000 4.400 3.889 2.337 4.331 0.663 22 1 "[ . 1 . 2 + . 3]" 1 1006 1 27 ARG QG 1 28 ASP H 3.600 2.900 4.300 3.458 2.324 3.976 0.576 22 1 "[ . 1 . 2 + . 3]" 1 1007 1 27 ARG QG 1 174 TYR H 3.700 3.000 4.400 3.940 3.749 4.072 . 0 0 "[ . 1 . 2 . 3]" 1 1008 1 27 ARG QG 1 179 LEU H 3.800 3.000 4.600 5.283 5.091 5.525 0.925 24 29 "[********** *********-**+******]" 1 1009 1 27 ARG QG 1 181 GLY H 4.000 3.200 4.800 5.149 5.059 5.354 0.554 24 1 "[ . 1 . 2 +. 3]" 1 1010 1 27 ARG QG 1 50 ALA H 4.200 3.400 5.000 4.751 4.549 4.956 . 0 0 "[ . 1 . 2 . 3]" 1 1011 1 27 ARG QG 1 54 MET H 3.800 3.000 4.600 4.613 4.465 4.738 0.138 7 0 "[ . 1 . 2 . 3]" 1 1012 1 27 ARG QG 1 173 ILE H 3.800 3.000 4.600 4.907 4.645 5.053 0.453 22 0 "[ . 1 . 2 . 3]" 1 1013 1 27 ARG QG 1 131 ALA H 3.500 2.800 4.200 4.915 4.706 5.196 0.996 6 30 [*****+***-********************] 1 1014 1 27 ARG QG 1 113 PHE H 3.400 2.700 4.100 4.012 3.870 4.157 0.057 16 0 "[ . 1 . 2 . 3]" 1 1015 1 28 ASP H 1 28 ASP HA 3.100 2.600 3.700 2.878 2.266 2.949 0.334 6 0 "[ . 1 . 2 . 3]" 1 1016 1 28 ASP H 1 28 ASP QB 3.200 2.700 3.800 2.430 2.235 2.959 0.465 11 0 "[ . 1 . 2 . 3]" 1 1017 1 28 ASP H 1 29 ALA H 3.100 2.500 3.700 3.402 2.076 4.094 0.424 19 0 "[ . 1 . 2 . 3]" 1 1018 1 28 ASP H 1 29 ALA HA 4.400 3.500 4.800 5.160 4.642 5.770 0.970 6 7 "[ .+ **1 . 2 * * *-3]" 1 1019 1 28 ASP H 1 29 ALA MB 4.100 3.300 4.900 4.031 3.544 4.736 . 0 0 "[ . 1 . 2 . 3]" 1 1020 1 28 ASP H 1 60 TRP H 3.500 2.800 4.200 5.498 5.176 5.755 1.555 7 30 [******+****************-******] 1 1021 1 28 ASP HA 1 28 ASP QB 3.000 2.400 3.400 2.351 2.253 2.385 0.147 6 0 "[ . 1 . 2 . 3]" 1 1022 1 28 ASP HA 1 29 ALA H 3.200 2.600 3.800 2.644 2.190 3.573 0.410 9 0 "[ . 1 . 2 . 3]" 1 1023 1 28 ASP HA 1 29 ALA H 3.300 2.600 4.000 2.575 2.183 3.330 0.417 29 0 "[ . 1 . 2 . 3]" 1 1024 1 28 ASP HA 1 29 ALA HA 4.400 3.600 5.300 4.493 4.314 5.371 0.071 6 0 "[ . 1 . 2 . 3]" 1 1025 1 28 ASP HA 1 29 ALA MB 4.600 3.700 5.500 4.409 4.144 5.002 . 0 0 "[ . 1 . 2 . 3]" 1 1026 1 28 ASP QB 1 29 ALA H 3.700 3.100 4.300 3.698 2.234 4.043 0.866 6 1 "[ .+ 1 . 2 . 3]" 1 1027 1 28 ASP QB 1 29 ALA HA 4.600 4.100 5.500 4.593 4.248 4.881 . 0 0 "[ . 1 . 2 . 3]" 1 1028 1 28 ASP QB 1 29 ALA HA 3.700 3.000 4.400 4.394 4.145 4.607 0.207 27 0 "[ . 1 . 2 . 3]" 1 1029 1 28 ASP QB 1 29 ALA MB 5.300 4.200 6.400 4.341 3.502 5.186 0.698 18 1 "[ . 1 . + 2 . 3]" 1 1030 1 28 ASP QB 1 61 VAL H 3.800 3.000 4.600 5.056 4.098 6.043 1.443 16 16 "[****. * - **+** 2 * *** *]" 1 1031 1 28 ASP QB 1 133 ALA H 3.600 2.900 4.300 4.143 3.712 4.839 0.539 1 4 "[+ . - 1 . * 2 . * 3]" 1 1032 1 28 ASP QB 1 147 GLU H 3.600 2.900 4.300 5.730 5.298 5.957 1.657 21 30 [*-******************+*********] 1 1033 1 28 ASP QB 1 141 LEU H 4.000 3.200 4.800 5.137 4.383 5.897 1.097 11 5 "[ * .- 1+ . * *. 3]" 1 1034 1 28 ASP QB 1 114 ALA H 4.200 3.400 5.000 5.267 5.009 5.674 0.674 25 7 "[- . * * . * 2 * + * 3]" 1 1035 1 28 ASP QB 1 220 ARG H 5.400 4.300 6.500 4.306 3.895 4.809 0.405 25 0 "[ . 1 . 2 . 3]" 1 1036 1 28 ASP QB 1 221 ALA H 5.000 4.000 6.000 3.886 3.567 4.224 0.433 29 0 "[ . 1 . 2 . 3]" 1 1037 1 28 ASP QB 1 218 THR H 5.400 4.300 6.500 5.336 4.835 5.661 . 0 0 "[ . 1 . 2 . 3]" 1 1038 1 28 ASP QB 1 241 GLU H 5.000 4.000 6.000 4.307 2.551 5.668 1.449 26 5 "[ * . 1 .- 2 *.+* 3]" 1 1039 1 29 ALA H 1 29 ALA HA 3.300 2.600 3.800 2.852 2.270 2.949 0.330 6 0 "[ . 1 . 2 . 3]" 1 1040 1 29 ALA H 1 29 ALA MB 3.400 2.700 4.100 2.619 2.242 2.909 0.458 22 0 "[ . 1 . 2 . 3]" 1 1041 1 29 ALA H 1 29 ALA MB 3.200 2.600 3.800 2.507 2.096 2.760 0.504 2 1 "[ + . 1 . 2 . 3]" 1 1042 1 29 ALA H 1 30 GLY H 3.900 3.200 4.700 4.030 2.512 4.617 0.688 4 2 "[ +. 1 . - . 3]" 1 1043 1 29 ALA HA 1 30 GLY H 3.100 2.500 3.600 2.854 2.165 3.569 0.335 18 0 "[ . 1 . 2 . 3]" 1 1044 1 29 ALA HA 1 30 GLY QA 3.800 3.000 4.600 4.030 3.905 4.237 . 0 0 "[ . 1 . 2 . 3]" 1 1045 1 29 ALA HA 1 37 TYR QE 5.300 4.200 6.400 4.780 3.813 5.792 0.387 5 0 "[ . 1 . 2 . 3]" 1 1046 1 29 ALA MB 1 30 GLY H 3.800 3.100 4.600 2.003 1.812 3.366 1.288 15 29 "[*-************+** ************]" 1 1047 1 29 ALA MB 1 30 GLY QA . 3.800 4.400 3.593 3.428 3.867 0.372 21 0 "[ . 1 . 2 . 3]" 1 1048 1 29 ALA MB 1 33 GLU H . 4.200 4.400 4.488 3.572 5.274 0.874 18 4 "[ * - 1 . *+ 2 . 3]" 1 1049 1 29 ALA MB 1 33 GLU QB 3.400 2.700 4.100 2.807 1.962 3.840 0.738 2 1 "[ + . 1 . 2 . 3]" 1 1050 1 29 ALA MB 1 33 GLU QG 3.500 2.800 4.200 3.843 2.582 4.353 0.218 17 0 "[ . 1 . 2 . 3]" 1 1051 1 29 ALA MB 1 34 ARG H 4.500 3.600 5.400 4.142 2.731 5.614 0.869 5 1 "[ + 1 . 2 . 3]" 1 1052 1 29 ALA MB 1 37 TYR QB 5.000 4.000 6.000 3.184 2.921 3.326 1.079 2 30 [*+*****-**********************] 1 1053 1 29 ALA MB 1 37 TYR QD 4.200 3.400 5.000 3.278 2.479 4.134 0.921 2 2 "[ + . 1 . -2 . 3]" 1 1054 1 29 ALA MB 1 37 TYR QE 4.200 3.400 4.600 2.545 2.226 3.140 1.174 28 25 "[* **. ****-***** *********+**]" 1 1055 1 30 GLY H 1 31 SER H 4.500 3.600 4.800 3.883 2.407 4.539 1.193 11 3 "[ - * 1+ . 2 . 3]" 1 1056 1 30 GLY H 1 33 GLU H . 3.900 4.700 4.523 3.670 5.356 0.656 4 1 "[ +. 1 . 2 . 3]" 1 1057 1 30 GLY H 1 33 GLU QB 5.100 4.300 6.100 3.508 2.693 4.822 1.607 15 24 "[*** * **** ***+* *2***-******]" 1 1058 1 30 GLY H 1 33 GLU QG 3.600 2.900 4.300 4.211 2.769 5.327 1.027 18 5 "[ *. 1 *. + * -. 3]" 1 1059 1 30 GLY QA 1 31 SER H 3.000 2.400 3.600 2.205 2.104 2.635 0.296 18 0 "[ . 1 . 2 . 3]" 1 1060 1 30 GLY QA 1 32 GLY H 3.300 2.600 4.000 4.544 3.566 5.388 1.388 9 15 "[* *** **+*- * .* ** * . * 3]" 1 1061 1 30 GLY QA 1 33 GLU H 2.600 2.100 3.100 4.318 3.467 4.881 1.781 13 29 "[************+**** ********-***]" 1 1062 1 30 GLY QA 1 33 GLU QG 4.500 3.600 5.400 4.329 2.345 5.227 1.255 17 1 "[ . 1 . + 2 . 3]" 1 1063 1 31 SER H 1 31 SER HA 3.200 2.600 3.800 2.873 2.269 2.948 0.331 18 0 "[ . 1 . 2 . 3]" 1 1064 1 31 SER HA 1 32 GLY H 3.300 2.600 4.000 2.849 2.135 3.577 0.465 3 0 "[ . 1 . 2 . 3]" 1 1065 1 31 SER HA 1 34 ARG H 3.300 2.600 4.000 3.903 3.109 4.517 0.517 11 1 "[ . 1+ . 2 . 3]" 1 1066 1 31 SER HA 1 184 GLY H 4.300 3.400 5.200 5.336 5.099 5.562 0.362 10 0 "[ . 1 . 2 . 3]" 1 1067 1 31 SER HA 1 201 ASP H 4.400 3.500 5.300 5.717 5.553 5.834 0.534 10 2 "[ . + . - 2 . 3]" 1 1068 1 31 SER HA 1 202 LEU H 3.200 2.600 3.800 5.542 5.412 5.632 1.832 9 30 [********+**-******************] 1 1069 1 32 GLY H 1 33 GLU H 3.700 3.000 4.400 2.711 2.195 3.352 0.805 18 7 "[ . 1 . *+ 2- ** **3]" 1 1070 1 32 GLY H 1 33 GLU QG 4.200 3.400 5.000 4.504 3.206 5.220 0.220 16 0 "[ . 1 . 2 . 3]" 1 1071 1 33 GLU H 1 33 GLU QB 3.200 2.900 3.800 2.463 2.371 2.575 0.529 14 2 "[ . 1 -+. 2 . 3]" 1 1072 1 33 GLU H 1 33 GLU QG 2.500 . 3.000 2.326 1.891 3.122 0.122 15 0 "[ . 1 . 2 . 3]" 1 1073 1 33 GLU H 1 34 ARG H 2.600 2.100 3.100 2.223 2.089 2.352 0.011 3 0 "[ . 1 . 2 . 3]" 1 1074 1 33 GLU H 1 35 ARG H 3.700 3.500 4.400 4.384 4.162 4.589 0.189 16 0 "[ . 1 . 2 . 3]" 1 1075 1 33 GLU QB 1 36 TYR QD 5.200 4.200 6.200 3.520 3.088 4.378 1.112 3 25 "[* +** **-* **** ************ *]" 1 1076 1 33 GLU QB 1 37 TYR H 3.900 3.100 4.600 4.512 4.091 4.895 0.295 4 0 "[ . 1 . 2 . 3]" 1 1077 1 33 GLU QG 1 34 ARG H 2.800 2.200 3.400 4.133 2.610 4.623 1.223 15 29 "[**********-***+* *************]" 1 1078 1 33 GLU QG 1 37 TYR QD 4.200 3.400 5.000 4.822 3.053 5.267 0.347 17 0 "[ . 1 . 2 . 3]" 1 1079 1 33 GLU QG 1 37 TYR QE 3.300 2.600 4.000 3.614 3.010 3.969 . 0 0 "[ . 1 . 2 . 3]" 1 1080 1 33 GLU QG 1 51 TYR H 3.800 3.000 4.600 4.967 4.792 5.110 0.510 24 1 "[ . 1 . 2 +. 3]" 1 1081 1 33 GLU QG 1 83 ILE H 3.600 2.900 4.300 4.868 4.754 4.979 0.679 20 27 "[****. **-**********+******* **]" 1 1082 1 34 ARG H 1 34 ARG HA 3.200 2.600 3.800 2.754 2.737 2.785 . 0 0 "[ . 1 . 2 . 3]" 1 1083 1 34 ARG H 1 35 ARG H 3.800 3.000 4.600 2.804 2.719 2.857 0.281 15 0 "[ . 1 . 2 . 3]" 1 1084 1 34 ARG H 1 35 ARG H 3.000 2.400 3.600 2.497 2.432 2.534 . 0 0 "[ . 1 . 2 . 3]" 1 1085 1 34 ARG H 1 36 TYR QD 4.100 3.300 4.900 4.766 4.390 5.360 0.460 2 0 "[ . 1 . 2 . 3]" 1 1086 1 34 ARG H 1 37 TYR QD . 4.300 4.400 3.727 3.473 4.179 0.827 20 21 "[* * **** ***.* +**-*******]" 1 1087 1 34 ARG HA 1 36 TYR H 4.400 3.500 5.300 4.481 4.194 4.867 . 0 0 "[ . 1 . 2 . 3]" 1 1088 1 34 ARG HA 1 36 TYR QD 4.400 3.500 5.300 4.576 4.354 4.774 . 0 0 "[ . 1 . 2 . 3]" 1 1089 1 34 ARG HA 1 38 VAL H 3.900 3.100 4.700 3.652 2.995 3.866 0.105 2 0 "[ . 1 . 2 . 3]" 1 1090 1 35 ARG H 1 35 ARG HA 3.200 2.600 3.800 2.803 2.774 2.857 . 0 0 "[ . 1 . 2 . 3]" 1 1091 1 35 ARG H 1 36 TYR H 3.900 3.100 4.700 2.768 2.658 2.960 0.442 11 0 "[ . 1 . 2 . 3]" 1 1092 1 35 ARG H 1 36 TYR QB 4.700 3.800 5.600 4.816 4.673 5.051 . 0 0 "[ . 1 . 2 . 3]" 1 1093 1 35 ARG H 1 36 TYR QD 5.000 4.000 6.000 3.798 3.464 4.174 0.536 29 1 "[ . 1 . 2 . +3]" 1 1094 1 35 ARG H 1 37 TYR H 4.000 3.400 4.800 3.975 3.841 4.156 . 0 0 "[ . 1 . 2 . 3]" 1 1095 1 35 ARG H 1 38 VAL QG 5.500 4.400 6.600 4.483 4.036 4.764 0.364 23 0 "[ . 1 . 2 . 3]" 1 1096 1 35 ARG H 1 38 VAL QG 4.200 3.400 5.000 4.069 3.562 4.249 . 0 0 "[ . 1 . 2 . 3]" 1 1097 1 35 ARG HA 1 36 TYR H 3.500 2.800 4.200 3.175 3.134 3.220 . 0 0 "[ . 1 . 2 . 3]" 1 1098 1 35 ARG HA 1 37 TYR H . 3.800 4.000 4.285 4.061 4.724 0.724 6 4 "[ * .+ 1 . *- 2 . 3]" 1 1099 1 35 ARG HA 1 38 VAL H 3.100 2.500 3.700 3.293 3.216 3.423 . 0 0 "[ . 1 . 2 . 3]" 1 1100 1 35 ARG HA 1 38 VAL HB 3.500 2.800 4.200 3.570 3.128 4.312 0.112 27 0 "[ . 1 . 2 . 3]" 1 1101 1 35 ARG HA 1 38 VAL QG 3.100 2.500 3.700 2.097 1.831 2.861 0.669 3 13 "[* +*. * * *. * 2****-* 3]" 1 1102 1 35 ARG HA 1 39 THR H 3.200 2.600 3.800 2.808 2.793 2.827 . 0 0 "[ . 1 . 2 . 3]" 1 1103 1 35 ARG HA 1 89 LEU QD 3.800 3.000 4.000 2.019 1.901 2.674 1.099 21 29 "[********************+-*** ****]" 1 1104 1 36 TYR H 1 36 TYR HA 3.200 2.600 3.800 2.521 2.501 2.533 0.099 16 0 "[ . 1 . 2 . 3]" 1 1105 1 36 TYR H 1 36 TYR QD 3.800 3.000 4.400 2.134 1.894 2.548 1.106 29 29 "[** *************************+-]" 1 1106 1 36 TYR H 1 36 TYR QE 4.500 3.600 5.400 4.028 3.879 4.304 . 0 0 "[ . 1 . 2 . 3]" 1 1107 1 36 TYR H 1 37 TYR H 3.400 2.700 4.100 2.567 2.478 2.666 0.222 14 0 "[ . 1 . 2 . 3]" 1 1108 1 36 TYR H 1 37 TYR H 3.100 2.500 3.700 2.551 2.472 2.636 0.028 14 0 "[ . 1 . 2 . 3]" 1 1109 1 36 TYR H 1 37 TYR QB 3.000 2.400 3.600 3.435 3.407 3.458 . 0 0 "[ . 1 . 2 . 3]" 1 1110 1 36 TYR H 1 38 VAL H 4.900 3.900 5.900 4.527 4.385 4.652 . 0 0 "[ . 1 . 2 . 3]" 1 1111 1 36 TYR H 1 38 VAL H 3.200 2.600 3.800 2.680 2.656 2.720 . 0 0 "[ . 1 . 2 . 3]" 1 1112 1 36 TYR H 1 38 VAL QG 3.300 2.600 4.000 2.957 2.083 3.242 0.517 26 6 "[- * . 1 . 2** .+* 3]" 1 1113 1 36 TYR H 1 38 VAL QG 3.200 2.600 3.800 1.927 1.809 2.045 0.791 5 30 [****+************************-] 1 1114 1 36 TYR H 1 39 THR MG 4.500 3.600 5.400 3.702 3.684 3.717 . 0 0 "[ . 1 . 2 . 3]" 1 1115 1 36 TYR H 1 105 ASN H 4.300 3.400 5.200 4.744 4.592 4.810 . 0 0 "[ . 1 . 2 . 3]" 1 1116 1 36 TYR H 1 39 THR MG 3.600 2.900 4.300 6.024 5.970 6.070 1.770 24 30 [*****-*****************+******] 1 1117 1 36 TYR HA 1 36 TYR QD 4.300 3.400 4.800 2.966 2.709 3.111 0.691 3 9 "[ + . * 1- . * 2*** . * *]" 1 1118 1 36 TYR HA 1 36 TYR QE 4.200 3.400 5.000 2.690 2.254 3.441 1.146 2 22 "[*+ *. *********-** * * ** * **]" 1 1119 1 36 TYR HA 1 37 TYR H 3.300 2.600 4.000 3.494 3.470 3.539 . 0 0 "[ . 1 . 2 . 3]" 1 1120 1 36 TYR HA 1 37 TYR H 3.900 3.100 4.700 3.397 3.317 3.473 . 0 0 "[ . 1 . 2 . 3]" 1 1121 1 36 TYR HA 1 38 VAL H 3.700 3.000 4.400 4.899 4.804 5.019 0.619 11 14 "[** *.* *+* * 2 *- **** 3]" 1 1122 1 36 TYR HA 1 39 THR H 3.200 2.600 3.800 2.741 2.720 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 1123 1 36 TYR HA 1 61 VAL QG 3.500 2.800 4.200 2.081 2.053 2.110 0.747 26 30 [*************************+-***] 1 1124 1 36 TYR HA 1 86 PHE QE 5.200 4.200 6.200 3.816 3.134 4.257 1.066 21 10 "[-* . 1* * *+* * * *]" 1 1125 1 36 TYR HA 1 86 PHE QE 3.700 3.000 4.400 2.446 2.303 2.550 0.697 20 25 "[****. -* **********+***** * **]" 1 1126 1 36 TYR HA 1 89 LEU QD 4.600 3.700 5.500 3.040 2.785 3.271 0.915 2 26 "[*+**.*** *********** **** ***-]" 1 1127 1 36 TYR QB 1 36 TYR QE 5.100 4.100 6.100 3.935 3.933 3.938 0.167 20 0 "[ . 1 . 2 . 3]" 1 1128 1 36 TYR QB 1 37 TYR H 3.300 2.800 4.000 2.765 2.518 2.858 0.282 17 0 "[ . 1 . 2 . 3]" 1 1129 1 36 TYR QB 1 37 TYR H 4.800 3.800 5.500 2.692 2.438 2.771 1.362 17 30 [***************-+*************] 1 1130 1 36 TYR QB 1 37 TYR QE 4.500 3.600 5.400 3.717 3.630 3.781 . 0 0 "[ . 1 . 2 . 3]" 1 1131 1 36 TYR QB 1 38 VAL H 4.000 3.200 4.800 5.096 4.911 5.154 0.354 25 0 "[ . 1 . 2 . 3]" 1 1132 1 36 TYR QB 1 40 LEU QB 4.600 3.700 5.500 4.247 3.990 4.448 . 0 0 "[ . 1 . 2 . 3]" 1 1133 1 36 TYR QB 1 80 THR H 3.700 3.000 4.400 5.637 5.356 5.759 1.359 18 30 [*****-***********+************] 1 1134 1 36 TYR QB 1 108 VAL H 4.100 3.300 4.900 4.864 4.557 5.135 0.235 6 0 "[ . 1 . 2 . 3]" 1 1135 1 36 TYR QB 1 86 PHE QE 5.800 4.600 7.000 3.266 2.719 3.586 1.881 21 30 [*****-**************+*********] 1 1136 1 36 TYR QB 1 89 LEU QD 5.700 4.600 6.800 4.137 3.988 4.290 0.612 6 11 "[ * .+ ** . **** *- * 3]" 1 1137 1 36 TYR QB 1 90 LEU QD 5.600 4.500 6.700 3.994 3.658 4.588 0.842 7 18 "[ * *. +***** ** ** 2 * ** * *-]" 1 1138 1 36 TYR QB 1 90 LEU QD 4.900 3.900 5.900 2.969 2.586 3.478 1.314 19 28 "[-***. ************+***********]" 1 1139 1 36 TYR QB 1 212 ALA MB 5.200 4.200 6.200 4.643 4.309 5.070 . 0 0 "[ . 1 . 2 . 3]" 1 1140 1 36 TYR QR 1 67 THR MG 4.700 3.800 5.600 2.841 2.665 3.027 1.135 5 30 [****+***-*********************] 1 1141 1 36 TYR QR 1 90 LEU QD 5.000 4.000 6.000 2.350 2.123 2.693 1.877 24 30 [****-******************+******] 1 1142 1 36 TYR QR 1 89 LEU QB 4.700 3.800 5.600 2.126 1.879 2.268 1.921 3 30 [**+****************-**********] 1 1143 1 36 TYR QD 1 37 TYR H 3.800 3.000 4.600 3.974 3.757 4.173 . 0 0 "[ . 1 . 2 . 3]" 1 1144 1 36 TYR QD 1 37 TYR H 4.200 3.400 5.000 3.444 3.173 3.629 0.227 13 0 "[ . 1 . 2 . 3]" 1 1145 1 36 TYR QD 1 39 THR MG 4.900 3.900 5.900 4.946 4.585 5.269 . 0 0 "[ . 1 . 2 . 3]" 1 1146 1 36 TYR QD 1 86 PHE HA 5.800 4.600 7.000 4.428 4.091 4.658 0.509 5 1 "[ + 1 . 2 . 3]" 1 1147 1 36 TYR QD 1 86 PHE QD 4.500 3.600 5.400 3.459 3.162 3.596 0.438 13 0 "[ . 1 . 2 . 3]" 1 1148 1 36 TYR QD 1 86 PHE QE 3.600 2.900 4.300 3.341 2.601 3.783 0.299 13 0 "[ . 1 . 2 . 3]" 1 1149 1 36 TYR QD 1 200 LEU QD 4.700 3.800 5.600 3.657 3.278 4.013 0.522 22 1 "[ . 1 . 2 + . 3]" 1 1150 1 36 TYR QD 1 89 LEU QB . 3.700 4.200 3.029 2.782 3.307 0.918 18 27 "[****.******* ****+******* *-**]" 1 1151 1 36 TYR QD 1 89 LEU QD 5.400 4.300 6.500 3.182 2.941 3.427 1.359 3 30 [**+*****-*********************] 1 1152 1 36 TYR QD 1 90 LEU QD 4.600 3.700 5.500 3.065 2.673 3.569 1.027 24 21 "[** *. ********* **-2 * +* ***3]" 1 1153 1 36 TYR QE 1 125 ALA H 4.900 3.900 5.900 5.947 5.607 6.070 0.170 5 0 "[ . 1 . 2 . 3]" 1 1154 1 36 TYR QE 1 86 PHE QD 4.800 3.800 5.800 5.015 4.037 5.542 . 0 0 "[ . 1 . 2 . 3]" 1 1155 1 36 TYR QE 1 90 LEU QD 4.100 3.300 4.900 2.444 2.227 2.795 1.073 24 30 [**********************-+******] 1 1156 1 36 TYR QE 1 89 LEU H 5.300 4.200 5.400 4.562 4.321 4.832 . 0 0 "[ . 1 . 2 . 3]" 1 1157 1 36 TYR QE 1 89 LEU QB . 3.500 4.200 2.176 1.899 2.355 1.601 3 30 [*-+***************************] 1 1158 1 36 TYR QE 1 89 LEU QD 4.600 4.300 5.500 3.405 3.047 3.640 1.253 5 30 [*-**+*************************] 1 1159 1 36 TYR QE 1 89 LEU HG 5.400 4.300 6.500 4.913 4.548 5.124 . 0 0 "[ . 1 . 2 . 3]" 1 1160 1 36 TYR QE 1 90 LEU H 4.000 3.200 4.800 3.141 2.614 3.805 0.586 12 1 "[ . 1 + . 2 . 3]" 1 1161 1 36 TYR QE 1 90 LEU QB 4.000 3.200 4.700 4.154 3.711 4.747 0.047 6 0 "[ . 1 . 2 . 3]" 1 1162 1 36 TYR QE 1 90 LEU QD 5.000 4.000 5.300 2.469 2.245 2.841 1.755 24 30 [**-********************+******] 1 1163 1 36 TYR QE 1 90 LEU HG 4.300 4.000 5.200 3.074 2.436 3.775 1.564 13 27 "[** ** ******+********* **-****]" 1 1164 1 36 TYR QE 1 123 ARG H 4.200 3.400 5.000 5.057 4.877 5.222 0.222 1 0 "[ . 1 . 2 . 3]" 1 1165 1 36 TYR QE 1 178 TRP HE1 4.000 3.200 4.800 4.967 4.960 4.979 0.179 3 0 "[ . 1 . 2 . 3]" 1 1166 1 37 TYR H 1 37 TYR HA 3.200 2.600 3.800 2.848 2.812 2.873 . 0 0 "[ . 1 . 2 . 3]" 1 1167 1 37 TYR H 1 37 TYR QB 3.200 2.600 3.700 2.290 2.239 2.368 0.361 29 0 "[ . 1 . 2 . 3]" 1 1168 1 37 TYR H 1 38 VAL H 3.000 2.400 3.600 2.684 2.589 2.788 . 0 0 "[ . 1 . 2 . 3]" 1 1169 1 37 TYR H 1 40 LEU QD 4.400 3.500 5.300 3.145 2.818 3.384 0.682 28 7 "[ * 1 * . *- *.* + 3]" 1 1170 1 37 TYR H 1 37 TYR QE 3.800 3.000 4.600 4.705 4.517 4.992 0.392 11 0 "[ . 1 . 2 . 3]" 1 1171 1 37 TYR H 1 38 VAL H 3.300 2.600 4.000 2.712 2.613 2.824 . 0 0 "[ . 1 . 2 . 3]" 1 1172 1 37 TYR H 1 38 VAL HB 3.800 3.000 4.600 4.911 4.722 5.149 0.549 3 4 "[ + . 1 . 2**- . 3]" 1 1173 1 37 TYR H 1 38 VAL QG 3.900 3.800 4.700 3.981 3.623 4.234 0.177 22 0 "[ . 1 . 2 . 3]" 1 1174 1 37 TYR H 1 39 THR H 3.400 2.700 4.100 3.061 2.815 3.427 . 0 0 "[ . 1 . 2 . 3]" 1 1175 1 37 TYR H 1 39 THR MG 5.000 4.000 6.000 6.041 6.014 6.063 0.063 28 0 "[ . 1 . 2 . 3]" 1 1176 1 37 TYR H 1 39 THR MG 4.000 3.200 4.800 2.250 1.916 2.963 1.284 2 29 "[*+****************-******** **]" 1 1177 1 37 TYR H 1 40 LEU H 3.400 2.700 4.100 3.869 3.555 4.146 0.046 5 0 "[ . 1 . 2 . 3]" 1 1178 1 37 TYR H 1 40 LEU QD 5.000 4.000 6.000 5.497 5.153 5.741 . 0 0 "[ . 1 . 2 . 3]" 1 1179 1 37 TYR HA 1 37 TYR QE 5.000 4.000 6.000 4.424 4.266 4.539 . 0 0 "[ . 1 . 2 . 3]" 1 1180 1 37 TYR HA 1 40 LEU H 3.600 2.900 4.300 3.481 3.306 3.614 . 0 0 "[ . 1 . 2 . 3]" 1 1181 1 37 TYR HA 1 40 LEU QD 4.300 3.400 5.200 3.508 3.292 3.703 0.108 5 0 "[ . 1 . 2 . 3]" 1 1182 1 37 TYR HA 1 86 PHE QE 5.900 4.700 7.100 4.600 4.147 5.086 0.553 11 1 "[ . 1+ . 2 . 3]" 1 1183 1 37 TYR QB 1 38 VAL H 3.500 2.800 4.100 2.397 2.333 2.462 0.467 27 0 "[ . 1 . 2 . 3]" 1 1184 1 37 TYR QB 1 40 LEU QD 5.100 4.100 6.100 3.711 2.982 4.310 1.118 9 14 "[ *****+1 - .** *2 **.* * 3]" 1 1185 1 37 TYR QB 1 158 SER H 5.000 4.000 6.000 4.922 4.585 5.341 . 0 0 "[ . 1 . 2 . 3]" 1 1186 1 37 TYR QD 1 38 VAL H 4.400 3.500 5.300 4.279 4.139 4.404 . 0 0 "[ . 1 . 2 . 3]" 1 1187 1 37 TYR QD 1 40 LEU QD 4.200 3.400 5.000 3.164 2.826 3.419 0.574 28 3 "[ . 1 * . -2 . + 3]" 1 1188 1 37 TYR QD 1 213 LEU QD 4.200 3.400 5.000 3.315 3.069 3.616 0.331 12 0 "[ . 1 . 2 . 3]" 1 1189 1 37 TYR QE 1 40 LEU QD 6.200 5.000 7.400 4.406 4.031 4.853 0.969 13 22 "[** *****1* + *** ***-**** **3]" 1 1190 1 37 TYR QE 1 105 ASN QD 4.700 3.800 5.600 5.208 5.075 5.357 . 0 0 "[ . 1 . 2 . 3]" 1 1191 1 37 TYR QE 1 101 VAL H 4.900 3.900 5.900 5.644 5.173 5.970 0.070 18 0 "[ . 1 . 2 . 3]" 1 1192 1 37 TYR QE 1 98 PHE H 5.800 4.600 7.000 5.823 5.652 5.950 . 0 0 "[ . 1 . 2 . 3]" 1 1193 1 37 TYR QE 1 100 ILE MD 3.500 2.800 4.200 2.247 2.010 2.479 0.790 22 18 "[* ** * *1** * **** + ***- *3]" 1 1194 1 37 TYR QE 1 216 ALA MB 4.200 3.400 5.000 3.436 3.001 4.271 0.399 3 0 "[ . 1 . 2 . 3]" 1 1195 1 37 TYR QE 1 213 LEU QD 3.900 3.100 4.700 2.265 2.015 2.503 1.085 22 30 [************-********+********] 1 1196 1 37 TYR QE 1 216 ALA MB 5.200 4.200 6.200 3.436 3.001 4.271 1.199 3 27 "[**+**-** * ********2**********]" 1 1197 1 38 VAL H 1 38 VAL HA 3.200 2.600 3.800 2.787 2.781 2.791 . 0 0 "[ . 1 . 2 . 3]" 1 1198 1 38 VAL H 1 38 VAL HB 3.300 2.600 3.500 2.560 2.491 2.622 0.109 27 0 "[ . 1 . 2 . 3]" 1 1199 1 38 VAL H 1 38 VAL QG 3.300 2.600 3.800 2.032 1.908 2.152 0.692 10 25 "[ *******+********** * **- ***]" 1 1200 1 38 VAL H 1 38 VAL QG 3.600 2.900 4.300 2.029 1.905 2.147 0.995 10 30 [*********+****************-***] 1 1201 1 38 VAL H 1 39 THR H 3.600 2.900 4.300 2.700 2.677 2.742 0.223 21 0 "[ . 1 . 2 . 3]" 1 1202 1 38 VAL H 1 39 THR MG 5.000 4.000 6.000 5.902 5.868 5.932 . 0 0 "[ . 1 . 2 . 3]" 1 1203 1 38 VAL H 1 40 LEU QB 4.000 3.200 4.800 5.054 4.866 5.248 0.448 11 0 "[ . 1 . 2 . 3]" 1 1204 1 38 VAL H 1 41 VAL H 4.200 3.400 5.000 4.831 4.715 4.892 . 0 0 "[ . 1 . 2 . 3]" 1 1205 1 38 VAL H 1 41 VAL HB 4.100 3.300 4.900 5.224 4.979 5.395 0.495 19 0 "[ . 1 . 2 . 3]" 1 1206 1 38 VAL H 1 41 VAL QG 4.000 3.200 4.800 4.338 4.211 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 1207 1 38 VAL HA 1 38 VAL HB 3.200 2.600 3.800 2.617 2.353 2.698 0.247 22 0 "[ . 1 . 2 . 3]" 1 1208 1 38 VAL HA 1 38 VAL QG 3.200 2.600 3.800 1.687 1.603 1.803 0.997 4 30 [***+***********-**************] 1 1209 1 38 VAL HA 1 38 VAL QG 2.900 2.300 3.500 1.973 1.935 2.042 0.365 13 0 "[ . 1 . 2 . 3]" 1 1210 1 38 VAL HA 1 39 THR H 3.600 2.900 4.300 3.209 3.124 3.253 . 0 0 "[ . 1 . 2 . 3]" 1 1211 1 38 VAL HA 1 39 THR HA 3.700 3.000 4.400 2.436 2.377 2.499 0.623 3 30 [**+*************-*************] 1 1212 1 38 VAL HA 1 40 LEU H 3.900 3.100 4.700 4.623 4.354 4.755 0.055 20 0 "[ . 1 . 2 . 3]" 1 1213 1 38 VAL HA 1 41 VAL H . 3.100 3.800 3.628 3.426 3.851 0.051 20 0 "[ . 1 . 2 . 3]" 1 1214 1 38 VAL HA 1 41 VAL HB 3.800 3.000 4.600 2.785 2.564 3.009 0.436 3 0 "[ . 1 . 2 . 3]" 1 1215 1 38 VAL HA 1 41 VAL QG 4.000 3.200 4.800 3.020 2.827 3.299 0.373 10 0 "[ . 1 . 2 . 3]" 1 1216 1 38 VAL HA 1 41 VAL QG 3.100 3.100 3.700 2.891 2.713 3.027 0.387 4 0 "[ . 1 . 2 . 3]" 1 1217 1 38 VAL HA 1 169 VAL HB 3.300 2.600 4.000 2.634 2.315 2.884 0.285 5 0 "[ . 1 . 2 . 3]" 1 1218 1 38 VAL HB 1 39 THR H 3.400 2.700 4.100 2.987 2.624 3.946 0.076 16 0 "[ . 1 . 2 . 3]" 1 1219 1 38 VAL HB 1 39 THR H 3.200 2.600 3.800 2.765 2.556 3.333 0.044 16 0 "[ . 1 . 2 . 3]" 1 1220 1 38 VAL HB 1 151 GLN QE 3.400 2.700 4.100 3.444 1.836 4.514 0.864 23 6 "[ - . * . 2 +*.** 3]" 1 1221 1 38 VAL HB 1 151 GLN QE 3.400 2.700 4.100 3.444 1.836 4.514 0.864 23 6 "[ - . * . 2 +*.** 3]" 1 1222 1 38 VAL QG 1 39 THR H 4.000 3.200 4.800 2.983 2.089 3.276 1.111 26 7 "[* * . 1 . 2**- .+* 3]" 1 1223 1 38 VAL QG 1 39 THR H 3.800 3.000 4.600 2.943 2.086 3.220 0.914 26 7 "[* * . 1 . 2**- .+* 3]" 1 1224 1 38 VAL QG 1 39 THR HB 5.000 4.000 6.000 4.605 3.631 4.955 0.369 23 0 "[ . 1 . 2 . 3]" 1 1225 1 38 VAL QG 1 39 THR MG 3.900 3.100 4.700 4.689 4.087 4.919 0.219 10 0 "[ . 1 . 2 . 3]" 1 1226 1 38 VAL QG 1 41 VAL H 3.400 2.700 4.100 1.999 1.878 2.143 0.822 21 30 [-*******************+*********] 1 1227 1 38 VAL QG 1 41 VAL H 3.300 2.600 4.000 1.871 1.834 1.893 0.766 13 30 [************+************-****] 1 1228 1 38 VAL QG 1 41 VAL QG 3.400 2.700 4.100 3.595 3.386 3.853 . 0 0 "[ . 1 . 2 . 3]" 1 1229 1 38 VAL QG 1 42 GLY H 3.900 3.100 4.700 3.152 3.118 3.183 . 0 0 "[ . 1 . 2 . 3]" 1 1230 1 38 VAL QG 1 42 GLY H 5.200 4.200 6.200 4.001 3.878 4.113 0.322 1 0 "[ . 1 . 2 . 3]" 1 1231 1 38 VAL QG 1 60 TRP HE1 4.800 3.800 5.800 4.992 4.374 5.478 . 0 0 "[ . 1 . 2 . 3]" 1 1232 1 38 VAL QG 1 181 GLY H 4.400 3.500 5.300 4.576 4.353 5.016 . 0 0 "[ . 1 . 2 . 3]" 1 1233 1 38 VAL QG 1 194 VAL H 3.700 3.000 4.400 5.321 5.063 5.568 1.168 30 30 [**-**************************+] 1 1234 1 38 VAL QG 1 180 LEU H 3.600 2.900 4.300 3.873 3.297 4.367 0.067 13 0 "[ . 1 . 2 . 3]" 1 1235 1 38 VAL QG 1 55 ALA MB 4.800 3.800 5.800 3.464 2.236 3.658 1.564 28 1 "[ . 1 . 2 . + 3]" 1 1236 1 39 THR H 1 39 THR HB 3.700 3.000 4.000 2.407 2.344 2.494 0.656 20 30 [***-***************+**********] 1 1237 1 39 THR H 1 39 THR MG 4.000 3.200 4.800 3.736 3.715 3.752 . 0 0 "[ . 1 . 2 . 3]" 1 1238 1 39 THR H 1 40 LEU H 3.600 2.900 4.300 2.692 2.561 2.769 0.339 5 0 "[ . 1 . 2 . 3]" 1 1239 1 39 THR H 1 40 LEU H 3.000 2.400 3.600 2.655 2.533 2.723 . 0 0 "[ . 1 . 2 . 3]" 1 1240 1 39 THR H 1 41 VAL H 4.400 3.500 5.300 4.162 3.964 4.267 . 0 0 "[ . 1 . 2 . 3]" 1 1241 1 39 THR H 1 41 VAL QG 5.500 4.400 6.600 4.774 4.694 4.868 . 0 0 "[ . 1 . 2 . 3]" 1 1242 1 39 THR H 1 42 GLY H 4.700 3.800 5.600 4.581 4.491 4.660 . 0 0 "[ . 1 . 2 . 3]" 1 1243 1 39 THR HA 1 39 THR MG 4.300 3.400 4.300 2.482 2.419 2.516 0.981 28 30 [*****************-*********+**] 1 1244 1 39 THR HA 1 41 VAL H 4.700 3.800 5.600 4.102 3.942 4.236 . 0 0 "[ . 1 . 2 . 3]" 1 1245 1 39 THR HA 1 41 VAL QG 3.100 2.500 3.700 2.131 2.116 2.145 0.384 7 0 "[ . 1 . 2 . 3]" 1 1246 1 39 THR HA 1 42 GLY H 3.500 2.800 4.200 3.103 3.034 3.189 . 0 0 "[ . 1 . 2 . 3]" 1 1247 1 39 THR HA 1 82 LEU QD 4.400 3.500 5.300 3.284 2.592 4.083 0.908 23 4 "[ . 1 * . 2- + . *3]" 1 1248 1 39 THR HA 1 86 PHE QD 5.400 4.300 6.500 5.465 5.094 6.027 . 0 0 "[ . 1 . 2 . 3]" 1 1249 1 39 THR HB 1 40 LEU H 3.700 3.000 4.400 2.454 2.360 2.635 0.640 4 23 "[** +.***-*** *** *** * ******]" 1 1250 1 39 THR HB 1 85 TYR QE 4.600 3.700 5.500 5.225 4.413 5.801 0.301 29 0 "[ . 1 . 2 . 3]" 1 1251 1 39 THR HB 1 86 PHE QD 3.700 3.000 4.400 3.666 3.174 4.123 . 0 0 "[ . 1 . 2 . 3]" 1 1252 1 39 THR MG 1 40 LEU H 4.700 3.800 5.600 3.116 2.951 3.297 0.849 6 30 [****-+************************] 1 1253 1 39 THR MG 1 40 LEU QB 5.400 4.300 6.500 3.946 3.732 4.168 0.568 6 2 "[ .+ 1 . - 2 . 3]" 1 1254 1 39 THR MG 1 40 LEU QD 5.600 4.500 6.700 4.083 3.619 4.370 0.881 20 5 "[ * 1 * .* + - . 3]" 1 1255 1 39 THR MG 1 41 VAL H 4.700 3.800 5.300 4.953 4.814 5.061 . 0 0 "[ . 1 . 2 . 3]" 1 1256 1 39 THR MG 1 43 ILE MD 4.500 3.600 5.400 3.143 2.759 3.833 0.841 28 21 "[ * .******* **-*** * ****+ *]" 1 1257 1 39 THR MG 1 85 TYR QD 4.400 3.500 5.300 2.626 2.084 2.923 1.416 11 30 [**********+*****************-*] 1 1258 1 39 THR MG 1 85 TYR QD 4.000 3.200 4.800 2.514 2.070 2.682 1.130 11 30 [**********+*****************-*] 1 1259 1 39 THR MG 1 85 TYR QE . 4.700 5.400 3.588 2.845 4.137 1.855 11 30 [**********+*****************-*] 1 1260 1 39 THR MG 1 86 PHE H 4.600 3.700 5.500 4.096 3.873 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 1261 1 39 THR MG 1 86 PHE HA 5.200 4.200 6.200 3.144 2.824 3.476 1.376 18 30 [*****************+-***********] 1 1262 1 39 THR MG 1 86 PHE QB 5.100 4.500 5.500 3.249 2.933 3.501 1.567 29 30 [***********-****************+*] 1 1263 1 39 THR MG 1 86 PHE QD 4.600 3.700 5.500 2.251 1.917 2.970 1.783 2 30 [*+*************************-**] 1 1264 1 39 THR MG 1 89 LEU QD 5.300 5.100 6.400 2.595 2.186 3.399 2.914 18 30 [****-************+************] 1 1265 1 40 LEU H 1 40 LEU QD 4.400 3.500 4.600 3.646 3.438 3.753 0.062 20 0 "[ . 1 . 2 . 3]" 1 1266 1 40 LEU H 1 41 VAL H 3.800 3.000 4.600 2.754 2.596 2.833 0.404 3 0 "[ . 1 . 2 . 3]" 1 1267 1 40 LEU H 1 41 VAL H 3.400 2.700 4.100 2.740 2.588 2.817 0.112 3 0 "[ . 1 . 2 . 3]" 1 1268 1 40 LEU H 1 41 VAL QG . 4.100 4.800 4.069 3.920 4.150 0.180 5 0 "[ . 1 . 2 . 3]" 1 1269 1 40 LEU H 1 42 GLY H 4.900 3.900 5.900 3.954 3.845 4.035 0.055 21 0 "[ . 1 . 2 . 3]" 1 1270 1 40 LEU H 1 43 ILE MD 5.000 4.000 6.000 4.393 4.106 5.011 . 0 0 "[ . 1 . 2 . 3]" 1 1271 1 40 LEU HA 1 40 LEU QD 3.900 3.100 4.700 1.857 1.731 1.939 1.369 13 30 [************+********-********] 1 1272 1 40 LEU HA 1 43 ILE MD 4.300 3.400 5.200 2.188 1.957 2.700 1.443 27 30 [*************-************+***] 1 1273 1 40 LEU HA 1 44 SER H 3.200 2.600 3.800 4.571 4.424 4.663 0.863 6 30 [**-**+************************] 1 1274 1 40 LEU QB 1 86 PHE QE 5.600 4.500 6.700 1.984 1.746 2.819 2.754 22 30 [*******************-*+********] 1 1275 1 40 LEU QB 1 42 GLY H 4.300 3.400 5.200 4.335 4.228 4.519 . 0 0 "[ . 1 . 2 . 3]" 1 1276 1 40 LEU QB 1 185 VAL H 4.300 3.400 5.200 3.824 3.619 3.960 . 0 0 "[ . 1 . 2 . 3]" 1 1277 1 40 LEU QB 1 86 PHE QE 4.300 3.400 5.200 1.843 1.690 2.255 1.710 27 30 [****-*********************+***] 1 1278 1 40 LEU QD 1 41 VAL H 5.100 4.100 5.400 3.817 3.574 3.999 0.526 11 1 "[ . 1+ . 2 . 3]" 1 1279 1 40 LEU QD 1 41 VAL H 4.500 3.600 5.400 3.074 2.943 3.133 0.657 1 22 "[+* .* ******-******** *. ** *]" 1 1280 1 40 LEU QD 1 41 VAL QG 5.800 4.600 7.000 3.622 3.521 3.682 1.079 6 30 [****-+************************] 1 1281 1 40 LEU QD 1 43 ILE MD . 4.500 5.400 1.866 1.670 2.148 2.830 29 30 [**********-*****************+*] 1 1282 1 40 LEU QD 1 44 SER H 5.000 4.000 6.000 4.218 3.270 4.863 0.730 11 2 "[ . 1+ . 2 - . 3]" 1 1283 1 40 LEU QD 1 83 ILE H 5.000 4.000 6.000 4.363 4.223 5.001 . 0 0 "[ . 1 . 2 . 3]" 1 1284 1 40 LEU QD 1 83 ILE MD 5.200 4.200 6.200 3.927 3.751 4.168 0.449 12 0 "[ . 1 . 2 . 3]" 1 1285 1 40 LEU QD 1 86 PHE QD 4.400 3.500 5.300 2.759 2.381 3.227 1.119 25 28 "[******** ***-** ********+*****]" 1 1286 1 40 LEU QD 1 86 PHE QE 5.400 4.300 6.500 2.317 1.976 2.615 2.324 19 30 [**********-*******+***********] 1 1287 1 40 LEU QD 1 86 PHE QE 4.900 3.900 5.800 2.497 1.943 3.191 1.957 5 30 [****+***************-*********] 1 1288 1 40 LEU QD 1 212 ALA MB 4.000 3.200 4.800 2.158 1.966 2.346 1.234 26 30 [********-****************+****] 1 1289 1 40 LEU QD 1 209 GLY H . 4.400 5.400 3.032 2.691 3.368 1.709 17 30 [****************+**-**********] 1 1290 1 40 LEU QD 1 210 PHE H 5.100 4.200 6.100 4.102 4.015 4.312 0.185 3 0 "[ . 1 . 2 . 3]" 1 1291 1 40 LEU QD 1 212 ALA H 5.400 4.300 6.500 4.124 3.818 4.367 0.482 5 0 "[ . 1 . 2 . 3]" 1 1292 1 40 LEU QD 1 212 ALA MB 4.600 3.700 5.000 2.230 1.977 2.491 1.723 26 30 [*********************-***+****] 1 1293 1 40 LEU QD 1 213 LEU H 4.900 3.900 5.900 4.083 3.768 4.392 0.132 23 0 "[ . 1 . 2 . 3]" 1 1294 1 40 LEU QD 1 213 LEU QD 4.200 3.800 5.000 3.095 2.809 3.346 0.991 23 29 "[********** ***********+*-*****]" 1 1295 1 40 LEU HG 1 86 PHE QD 4.400 3.500 4.900 5.865 4.405 6.046 1.146 29 29 "[******************** ******-+*]" 1 1296 1 40 LEU HG 1 86 PHE HZ 5.300 4.200 6.400 5.951 4.073 6.081 0.127 21 0 "[ . 1 . 2 . 3]" 1 1297 1 41 VAL H 1 41 VAL HA 3.200 2.600 3.800 2.804 2.776 2.842 . 0 0 "[ . 1 . 2 . 3]" 1 1298 1 41 VAL H 1 41 VAL HB . 3.000 3.700 2.553 2.481 2.604 0.519 1 2 "[+ - . 1 . 2 . 3]" 1 1299 1 41 VAL H 1 41 VAL QG 3.300 2.600 4.000 2.002 1.879 2.148 0.721 21 27 "[ * ********* *******+*-*******]" 1 1300 1 41 VAL H 1 41 VAL QG 3.500 2.900 4.200 2.000 1.878 2.145 1.022 21 30 [-*******************+*********] 1 1301 1 41 VAL H 1 42 GLY H 3.300 2.600 4.000 2.615 2.495 2.699 0.105 1 0 "[ . 1 . 2 . 3]" 1 1302 1 41 VAL H 1 42 GLY H 3.400 2.700 4.100 2.381 2.325 2.422 0.375 1 0 "[ . 1 . 2 . 3]" 1 1303 1 41 VAL H 1 44 SER H 3.300 2.600 4.000 2.775 2.635 2.898 . 0 0 "[ . 1 . 2 . 3]" 1 1304 1 41 VAL HA 1 41 VAL QG 3.700 3.000 4.200 2.145 2.130 2.157 0.870 7 30 [******+*****************-*****] 1 1305 1 41 VAL HA 1 42 GLY H 4.300 3.400 5.200 3.504 3.491 3.515 . 0 0 "[ . 1 . 2 . 3]" 1 1306 1 41 VAL HA 1 44 SER H 3.000 2.400 3.600 3.457 3.317 3.606 0.006 29 0 "[ . 1 . 2 . 3]" 1 1307 1 41 VAL HA 1 45 GLY H 3.100 2.500 3.700 2.215 2.206 2.224 0.294 11 0 "[ . 1 . 2 . 3]" 1 1308 1 41 VAL HB 1 42 GLY H 3.600 2.900 4.300 2.765 2.706 2.787 0.194 28 0 "[ . 1 . 2 . 3]" 1 1309 1 41 VAL HB 1 44 SER H 4.100 3.300 4.900 5.894 5.740 6.019 1.119 25 30 [*-**********************+*****] 1 1310 1 41 VAL QG 1 42 GLY H 4.100 3.300 4.900 3.299 3.270 3.327 0.030 28 0 "[ . 1 . 2 . 3]" 1 1311 1 41 VAL QG 1 43 ILE H 4.500 3.600 5.400 4.636 4.513 4.838 . 0 0 "[ . 1 . 2 . 3]" 1 1312 1 41 VAL QG 1 45 GLY H 4.700 3.800 5.600 3.943 3.761 4.122 0.039 17 0 "[ . 1 . 2 . 3]" 1 1313 1 42 GLY H 1 42 GLY QA 3.200 2.600 3.800 2.194 2.187 2.198 0.413 13 0 "[ . 1 . 2 . 3]" 1 1314 1 42 GLY H 1 44 SER H 3.900 3.100 4.700 4.497 4.298 4.637 . 0 0 "[ . 1 . 2 . 3]" 1 1315 1 42 GLY H 1 82 LEU QD 4.500 3.600 5.400 4.154 3.704 4.838 . 0 0 "[ . 1 . 2 . 3]" 1 1316 1 42 GLY QA 1 44 SER H 3.400 2.700 4.100 3.432 3.388 3.458 . 0 0 "[ . 1 . 2 . 3]" 1 1317 1 42 GLY QA 1 46 ILE H 3.200 2.600 3.800 2.664 2.640 2.683 . 0 0 "[ . 1 . 2 . 3]" 1 1318 1 42 GLY QA 1 45 GLY H 3.900 3.100 4.700 3.486 3.352 3.587 . 0 0 "[ . 1 . 2 . 3]" 1 1319 1 43 ILE H 1 43 ILE MD 4.300 3.400 4.700 3.454 3.366 3.722 0.034 6 0 "[ . 1 . 2 . 3]" 1 1320 1 43 ILE H 1 44 SER H 3.700 3.000 4.400 2.787 2.645 2.913 0.355 1 0 "[ . 1 . 2 . 3]" 1 1321 1 43 ILE H 1 82 LEU QD 4.000 3.200 4.100 2.951 2.659 3.770 0.541 23 2 "[ . 1 . - 2 + . 3]" 1 1322 1 43 ILE HA 1 43 ILE MD 3.800 3.000 4.600 3.510 3.454 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 1323 1 43 ILE HA 1 43 ILE MG 3.400 2.700 4.100 2.038 1.957 2.128 0.743 19 30 [**-***************+***********] 1 1324 1 43 ILE HA 1 46 ILE MD 3.700 3.000 4.400 2.285 1.822 2.785 1.178 3 27 "[**+-* **************** ******]" 1 1325 1 43 ILE HA 1 47 ALA H 3.500 2.800 4.200 3.331 3.287 3.363 . 0 0 "[ . 1 . 2 . 3]" 1 1326 1 43 ILE HA 1 46 ILE QG 4.000 3.200 4.800 2.239 2.025 2.431 1.175 29 30 [***********************-****+*] 1 1327 1 43 ILE HA 1 79 THR MG 4.100 3.300 4.900 3.286 2.077 3.662 1.223 23 3 "[ * 1 - . 2 + . 3]" 1 1328 1 43 ILE HA 1 83 ILE MD 4.500 3.600 5.400 4.746 4.418 5.105 . 0 0 "[ . 1 . 2 . 3]" 1 1329 1 43 ILE HB 1 43 ILE MD 3.700 3.000 4.400 2.088 2.058 2.119 0.942 7 30 [******+*****-*****************] 1 1330 1 43 ILE HB 1 83 ILE MD 4.400 3.500 5.300 3.564 2.737 4.084 0.763 3 5 "[* + . 1 *. 2 * . -3]" 1 1331 1 43 ILE MD 1 44 SER H 4.000 3.200 4.800 3.778 3.556 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 1332 1 43 ILE MD 1 44 SER H 4.700 3.800 5.600 3.591 3.471 3.727 0.329 5 0 "[ . 1 . 2 . 3]" 1 1333 1 43 ILE MD 1 46 ILE MD 4.600 3.700 5.500 5.009 4.685 5.853 0.353 23 0 "[ . 1 . 2 . 3]" 1 1334 1 43 ILE MD 1 66 ARG H 4.000 3.200 4.800 3.424 3.299 3.612 . 0 0 "[ . 1 . 2 . 3]" 1 1335 1 43 ILE MD 1 184 GLY H 5.200 4.200 6.200 4.653 3.690 5.217 0.510 20 1 "[ . 1 . + . 3]" 1 1336 1 43 ILE MD 1 73 TYR QB 4.600 3.700 5.500 3.198 2.999 3.452 0.701 10 19 "[ * *. *- +** * **** * ***** *]" 1 1337 1 43 ILE MD 1 86 PHE H 5.300 4.200 6.400 5.264 4.686 6.011 . 0 0 "[ . 1 . 2 . 3]" 1 1338 1 43 ILE MD 1 106 THR MG 4.800 3.800 5.800 4.215 3.644 4.638 0.156 30 0 "[ . 1 . 2 . 3]" 1 1339 1 43 ILE MD 1 83 ILE H 3.900 3.100 4.700 3.597 3.385 3.675 . 0 0 "[ . 1 . 2 . 3]" 1 1340 1 43 ILE MD 1 83 ILE MD 4.200 3.400 5.000 1.758 1.648 2.457 1.752 11 30 [********-*+*******************] 1 1341 1 43 ILE MD 1 86 PHE QD 5.400 4.300 6.500 2.985 2.438 4.420 1.862 28 29 "[******************** ******+-*]" 1 1342 1 44 SER H 1 44 SER HA 3.200 2.600 3.800 2.802 2.779 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 1343 1 44 SER H 1 45 GLY H 3.200 3.000 3.800 2.668 2.568 2.726 0.432 3 0 "[ . 1 . 2 . 3]" 1 1344 1 44 SER H 1 45 GLY QA 3.600 2.900 4.300 4.540 4.464 4.593 0.293 30 0 "[ . 1 . 2 . 3]" 1 1345 1 44 SER H 1 46 ILE QG 2.700 2.200 3.200 4.540 4.246 5.433 2.233 23 30 [**-*******************+*******] 1 1346 1 44 SER H 1 47 ALA H 4.300 3.400 5.200 5.035 4.940 5.129 . 0 0 "[ . 1 . 2 . 3]" 1 1347 1 44 SER H 1 56 LEU QD 3.600 2.900 4.300 4.738 4.447 5.498 1.198 11 9 "[* * * *+ - .* 2* . *3]" 1 1348 1 44 SER HA 1 46 ILE H 3.600 2.900 4.300 4.977 4.783 5.117 0.817 13 29 "[**-*********+********* *******]" 1 1349 1 44 SER HA 1 47 ALA H 3.200 2.600 3.800 2.766 2.746 2.781 . 0 0 "[ . 1 . 2 . 3]" 1 1350 1 44 SER HA 1 48 ALA H 3.400 2.700 4.100 3.325 3.280 3.360 . 0 0 "[ . 1 . 2 . 3]" 1 1351 1 45 GLY H 1 46 ILE H 3.700 3.000 4.400 2.690 2.589 2.777 0.411 23 0 "[ . 1 . 2 . 3]" 1 1352 1 45 GLY H 1 46 ILE QG 3.700 3.000 4.400 3.622 3.478 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 1353 1 45 GLY H 1 46 ILE MG 4.600 3.700 5.500 4.429 4.248 5.841 0.341 23 0 "[ . 1 . 2 . 3]" 1 1354 1 45 GLY H 1 47 ALA H 4.300 3.400 5.200 3.885 3.790 4.086 . 0 0 "[ . 1 . 2 . 3]" 1 1355 1 45 GLY H 1 48 ALA H 4.100 3.300 4.900 4.579 4.438 4.723 . 0 0 "[ . 1 . 2 . 3]" 1 1356 1 45 GLY QA 1 46 ILE H . 3.400 4.200 2.577 2.526 2.661 0.874 13 30 [************+*********-*******] 1 1357 1 45 GLY QA 1 47 ALA H 3.800 3.400 4.600 3.974 3.900 4.133 . 0 0 "[ . 1 . 2 . 3]" 1 1358 1 45 GLY QA 1 48 ALA H 4.700 3.800 5.600 3.450 3.277 3.576 0.523 1 1 "[+ . 1 . 2 . 3]" 1 1359 1 45 GLY QA 1 48 ALA H 3.300 2.600 4.000 2.913 2.831 2.985 . 0 0 "[ . 1 . 2 . 3]" 1 1360 1 45 GLY QA 1 48 ALA H 3.200 2.600 3.800 2.700 2.666 2.735 . 0 0 "[ . 1 . 2 . 3]" 1 1361 1 45 GLY QA 1 48 ALA MB 2.900 2.300 3.500 2.054 2.003 2.082 0.297 3 0 "[ . 1 . 2 . 3]" 1 1362 1 45 GLY QA 1 49 VAL H 3.600 2.900 4.300 4.239 4.026 4.430 0.130 28 0 "[ . 1 . 2 . 3]" 1 1363 1 45 GLY QA 1 49 VAL H 3.900 3.100 4.700 3.287 3.111 3.464 . 0 0 "[ . 1 . 2 . 3]" 1 1364 1 45 GLY QA 1 61 VAL H 3.400 2.700 4.100 5.657 5.373 5.797 1.697 24 30 [***************-*******+******] 1 1365 1 45 GLY QA 1 179 LEU H 3.800 3.000 4.600 5.945 5.857 6.006 1.406 21 30 [********-***********+*********] 1 1366 1 46 ILE H 1 46 ILE HB 3.300 2.600 4.000 3.427 2.597 3.467 0.003 23 0 "[ . 1 . 2 . 3]" 1 1367 1 46 ILE H 1 46 ILE MD 3.800 3.000 4.600 3.534 3.415 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 1368 1 46 ILE H 1 46 ILE MD 3.300 2.600 4.000 2.251 2.153 3.220 0.447 26 0 "[ . 1 . 2 . 3]" 1 1369 1 46 ILE H 1 46 ILE QG 3.500 2.800 4.200 1.876 1.796 1.943 1.004 3 30 [**+******************-********] 1 1370 1 46 ILE H 1 46 ILE MG 4.200 3.400 5.000 2.292 2.171 3.766 1.229 26 29 "[**-******************* **+****]" 1 1371 1 46 ILE H 1 47 ALA H 3.500 2.800 4.000 2.716 2.684 2.778 0.116 1 0 "[ . 1 . 2 . 3]" 1 1372 1 46 ILE H 1 47 ALA MB 4.900 3.900 5.900 4.395 4.348 4.458 . 0 0 "[ . 1 . 2 . 3]" 1 1373 1 46 ILE H 1 48 ALA H 4.000 3.200 4.800 4.262 4.084 4.447 . 0 0 "[ . 1 . 2 . 3]" 1 1374 1 46 ILE H 1 48 ALA H 3.800 3.000 4.600 4.026 3.893 4.170 . 0 0 "[ . 1 . 2 . 3]" 1 1375 1 46 ILE H 1 79 THR MG 4.500 3.600 5.400 4.704 3.711 4.931 . 0 0 "[ . 1 . 2 . 3]" 1 1376 1 46 ILE HA 1 46 ILE QG 3.700 3.000 4.400 3.142 2.440 3.242 0.560 23 2 "[ . - 1 . 2 + . 3]" 1 1377 1 46 ILE HA 1 46 ILE MG 3.700 3.000 4.400 2.284 2.237 2.374 0.763 3 30 [**+*******************-*******] 1 1378 1 46 ILE HA 1 47 ALA H 4.500 3.600 5.400 3.522 3.506 3.554 0.094 26 0 "[ . 1 . 2 . 3]" 1 1379 1 46 ILE HA 1 48 ALA H 3.700 3.000 4.400 4.502 4.270 4.671 0.271 18 0 "[ . 1 . 2 . 3]" 1 1380 1 46 ILE HA 1 49 VAL H 2.800 2.200 3.400 2.664 2.606 2.684 . 0 0 "[ . 1 . 2 . 3]" 1 1381 1 46 ILE HA 1 49 VAL QG 3.000 2.400 3.600 1.995 1.926 2.128 0.474 13 0 "[ . 1 . 2 . 3]" 1 1382 1 46 ILE HA 1 50 ALA H 3.200 2.600 3.800 3.383 3.341 3.423 . 0 0 "[ . 1 . 2 . 3]" 1 1383 1 46 ILE HB 1 47 ALA H 3.000 2.400 3.600 2.211 2.109 2.232 0.291 23 0 "[ . 1 . 2 . 3]" 1 1384 1 46 ILE HB 1 50 ALA MB 4.400 3.500 5.300 3.518 3.328 3.727 0.172 13 0 "[ . 1 . 2 . 3]" 1 1385 1 46 ILE HB 1 79 THR MG 4.100 3.300 4.900 2.549 1.969 2.839 1.331 23 28 "[************-*** *****+ ******]" 1 1386 1 46 ILE HB 1 50 ALA H 3.900 3.100 4.700 5.209 4.954 5.778 1.078 23 16 "[* * . - *** ******2 *+ * *3]" 1 1387 1 46 ILE MD 1 47 ALA H 3.600 2.900 4.300 3.458 3.389 3.544 . 0 0 "[ . 1 . 2 . 3]" 1 1388 1 46 ILE MD 1 79 THR MG 3.800 3.000 4.600 1.872 1.601 1.990 1.399 14 30 [*********-***+****************] 1 1389 1 46 ILE MD 1 47 ALA H 4.400 3.500 5.300 3.823 3.671 4.505 . 0 0 "[ . 1 . 2 . 3]" 1 1390 1 46 ILE MD 1 78 LEU H 2.900 2.300 3.500 2.870 1.978 3.017 0.322 2 0 "[ . 1 . 2 . 3]" 1 1391 1 46 ILE MD 1 78 LEU H 4.500 3.600 5.400 4.502 4.043 5.054 . 0 0 "[ . 1 . 2 . 3]" 1 1392 1 46 ILE MD 1 78 LEU HA 4.700 3.800 5.600 4.082 3.714 4.794 0.086 4 0 "[ . 1 . 2 . 3]" 1 1393 1 46 ILE MD 1 78 LEU HA 3.500 2.800 4.200 2.320 2.018 3.360 0.782 5 25 "[* *+***-**** ** * ***********]" 1 1394 1 46 ILE MD 1 78 LEU QB 4.200 3.400 5.000 2.389 1.934 3.314 1.466 23 26 "[* -********** ** * ***+*******]" 1 1395 1 46 ILE MD 1 78 LEU QD 4.900 3.900 5.900 3.102 1.660 3.799 2.240 3 17 "[ *+*** -1* **. * *2* ***** 3]" 1 1396 1 46 ILE MD 1 79 THR H 3.200 2.600 3.800 3.275 2.507 3.450 0.093 14 0 "[ . 1 . 2 . 3]" 1 1397 1 46 ILE MD 1 79 THR HA 4.900 3.900 5.900 2.270 2.037 2.859 1.863 14 30 [*************+********-*******] 1 1398 1 46 ILE MD 1 79 THR HB 5.100 4.100 6.100 3.564 3.292 4.091 0.808 8 21 "[*** . *+ *** ******* * *.- ***]" 1 1399 1 46 ILE MD 1 82 LEU QD 4.600 3.700 5.500 2.498 1.928 3.315 1.772 28 27 "[ * ******-***** ***********+**]" 1 1400 1 46 ILE QG 1 46 ILE MG 3.900 3.100 4.700 2.339 2.012 2.393 1.088 23 30 [*************-********+*******] 1 1401 1 46 ILE QG 1 47 ALA H 3.400 2.700 4.100 2.102 1.921 2.955 0.779 3 29 "[**+*********-********* *******]" 1 1402 1 46 ILE QG 1 47 ALA MB 4.000 3.200 4.800 2.438 2.264 2.853 0.936 22 29 "[************-********+ *******]" 1 1403 1 46 ILE QG 1 48 ALA H 2.800 2.200 3.400 1.877 1.651 2.167 0.549 9 3 "[ . +1 . 2 . -*]" 1 1404 1 46 ILE QG 1 75 ASP QB 3.600 2.900 4.300 4.504 4.245 4.701 0.401 17 0 "[ . 1 . 2 . 3]" 1 1405 1 46 ILE QG 1 79 THR H 3.400 2.700 4.100 5.146 4.911 5.408 1.308 18 30 [*****************+********-***] 1 1406 1 46 ILE QG 1 79 THR H 3.200 2.600 3.800 2.511 2.172 2.648 0.428 23 0 "[ . 1 . 2 . 3]" 1 1407 1 46 ILE QG 1 79 THR HA 4.700 3.800 5.600 3.976 3.609 4.931 0.191 14 0 "[ . 1 . 2 . 3]" 1 1408 1 46 ILE QG 1 79 THR HA 3.800 3.000 4.600 2.349 2.294 2.378 0.706 14 30 [*******-*****+****************] 1 1409 1 46 ILE MG 1 47 ALA H 4.500 3.600 5.400 3.970 3.506 4.064 0.094 23 0 "[ . 1 . 2 . 3]" 1 1410 1 46 ILE MG 1 78 LEU QB 4.300 3.400 5.200 3.329 2.173 3.904 1.227 23 1 "[ . 1 . 2 + . 3]" 1 1411 1 47 ALA H 1 47 ALA MB 4.000 3.200 4.800 2.232 2.197 2.250 1.003 8 30 [*******+*******************-**] 1 1412 1 47 ALA H 1 48 ALA H 3.400 2.700 4.000 2.624 2.561 2.734 0.139 28 0 "[ . 1 . 2 . 3]" 1 1413 1 47 ALA H 1 49 VAL H 4.200 3.400 4.900 4.262 4.059 4.388 . 0 0 "[ . 1 . 2 . 3]" 1 1414 1 47 ALA H 1 49 VAL QG 5.100 4.100 6.100 4.081 3.945 4.754 0.155 16 0 "[ . 1 . 2 . 3]" 1 1415 1 47 ALA H 1 79 THR MG 4.400 3.500 5.300 3.527 3.132 3.794 0.368 23 0 "[ . 1 . 2 . 3]" 1 1416 1 47 ALA HA 1 49 VAL H 3.900 3.100 4.700 4.392 4.081 4.674 . 0 0 "[ . 1 . 2 . 3]" 1 1417 1 47 ALA HA 1 50 ALA H 3.700 3.000 4.400 3.360 3.239 3.466 . 0 0 "[ . 1 . 2 . 3]" 1 1418 1 47 ALA HA 1 51 TYR H 3.700 3.000 4.400 4.175 4.042 4.275 . 0 0 "[ . 1 . 2 . 3]" 1 1419 1 47 ALA MB 1 48 ALA H 4.300 3.400 5.200 2.497 2.343 2.602 1.057 26 30 [**-**********************+****] 1 1420 1 47 ALA MB 1 48 ALA H 3.100 2.500 3.700 2.491 2.338 2.594 0.162 18 0 "[ . 1 . 2 . 3]" 1 1421 1 47 ALA MB 1 51 TYR H 5.400 4.300 6.500 4.566 4.478 4.637 . 0 0 "[ . 1 . 2 . 3]" 1 1422 1 47 ALA MB 1 51 TYR QB 5.200 4.200 6.200 4.712 4.539 4.801 . 0 0 "[ . 1 . 2 . 3]" 1 1423 1 47 ALA MB 1 51 TYR QE 5.700 4.600 6.800 2.467 2.222 2.985 2.378 18 30 [*******-*********+************] 1 1424 1 47 ALA MB 1 75 ASP QB 4.700 3.800 5.600 3.660 3.198 4.023 0.602 23 1 "[ . 1 . 2 + . 3]" 1 1425 1 47 ALA MB 1 201 ASP QB 4.700 3.800 5.600 3.772 3.273 4.183 0.527 23 1 "[ . 1 . 2 + . 3]" 1 1426 1 48 ALA H 1 49 VAL H 3.400 2.700 4.000 2.828 2.687 2.878 0.013 28 0 "[ . 1 . 2 . 3]" 1 1427 1 48 ALA H 1 49 VAL QG 3.900 3.100 4.700 3.415 3.317 3.763 . 0 0 "[ . 1 . 2 . 3]" 1 1428 1 48 ALA H 1 50 ALA H 3.600 3.400 4.300 4.136 4.009 4.308 0.008 26 0 "[ . 1 . 2 . 3]" 1 1429 1 48 ALA H 1 51 TYR H 4.100 3.300 4.900 4.908 4.769 5.056 0.156 28 0 "[ . 1 . 2 . 3]" 1 1430 1 48 ALA HA 1 49 VAL H . 3.500 4.200 3.550 3.511 3.564 . 0 0 "[ . 1 . 2 . 3]" 1 1431 1 48 ALA HA 1 50 ALA H 4.400 3.500 5.300 4.449 4.340 4.584 . 0 0 "[ . 1 . 2 . 3]" 1 1432 1 48 ALA MB 1 49 VAL H 3.700 3.000 4.100 2.501 2.327 2.710 0.673 24 15 "[ **.** -**** . **2 **+. * 3]" 1 1433 1 48 ALA MB 1 49 VAL HA 3.700 3.000 4.400 3.820 3.780 3.864 . 0 0 "[ . 1 . 2 . 3]" 1 1434 1 48 ALA MB 1 49 VAL HB 3.600 2.900 4.300 5.132 3.923 5.233 0.933 16 29 "[***************+********* *-**]" 1 1435 1 48 ALA MB 1 49 VAL HB 3.400 2.700 4.100 3.245 2.878 3.599 . 0 0 "[ . 1 . 2 . 3]" 1 1436 1 48 ALA MB 1 49 VAL QG 4.100 3.300 4.900 2.914 2.795 3.759 0.505 11 1 "[ . 1+ . 2 . 3]" 1 1437 1 48 ALA MB 1 50 ALA H 4.300 3.400 5.200 4.452 4.305 4.647 . 0 0 "[ . 1 . 2 . 3]" 1 1438 1 48 ALA MB 1 51 TYR QB 6.100 4.900 7.300 3.622 3.480 3.723 1.420 26 30 [*************************+-***] 1 1439 1 49 VAL H 1 49 VAL HA 3.600 2.900 4.300 2.853 2.787 2.875 0.113 26 0 "[ . 1 . 2 . 3]" 1 1440 1 49 VAL H 1 49 VAL HB . 2.800 3.400 3.585 1.910 3.661 0.890 26 1 "[ . 1 . 2 .+ 3]" 1 1441 1 49 VAL H 1 49 VAL QG 3.100 2.800 3.600 1.910 1.778 2.767 1.022 2 29 "[*+*********************** **-*]" 1 1442 1 49 VAL H 1 49 VAL QG 3.100 2.500 3.700 1.901 1.771 2.671 0.729 2 29 "[*+*********************** **-*]" 1 1443 1 49 VAL H 1 50 ALA H 3.000 2.600 3.600 2.543 2.474 2.653 0.126 21 0 "[ . 1 . 2 . 3]" 1 1444 1 49 VAL H 1 50 ALA MB 3.900 3.100 4.700 3.805 3.628 3.982 . 0 0 "[ . 1 . 2 . 3]" 1 1445 1 49 VAL H 1 51 TYR H 3.900 3.100 4.700 4.142 4.019 4.300 . 0 0 "[ . 1 . 2 . 3]" 1 1446 1 49 VAL H 1 52 ALA H 4.000 3.200 4.800 3.961 3.779 4.135 . 0 0 "[ . 1 . 2 . 3]" 1 1447 1 49 VAL H 1 52 ALA H 4.100 3.300 4.900 3.991 3.849 4.071 . 0 0 "[ . 1 . 2 . 3]" 1 1448 1 49 VAL HA 1 50 ALA H 4.100 3.300 4.900 3.520 3.505 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 1449 1 49 VAL HA 1 51 TYR H 3.200 2.600 3.800 4.249 4.140 4.402 0.602 11 6 "[-* * 1+ . 2 .* * 3]" 1 1450 1 49 VAL HA 1 52 ALA H 3.900 3.100 4.700 3.331 3.165 3.594 . 0 0 "[ . 1 . 2 . 3]" 1 1451 1 49 VAL HA 1 52 ALA H 3.200 2.600 3.800 2.673 2.637 2.741 . 0 0 "[ . 1 . 2 . 3]" 1 1452 1 49 VAL HA 1 53 VAL QG 3.000 2.400 3.600 1.951 1.937 1.964 0.463 29 0 "[ . 1 . 2 . 3]" 1 1453 1 49 VAL HB 1 50 ALA H 3.700 3.000 3.700 3.817 3.169 4.042 0.342 28 0 "[ . 1 . 2 . 3]" 1 1454 1 49 VAL QG 1 50 ALA H 3.700 3.000 4.400 2.160 1.940 2.207 1.060 28 30 [**********-****************+**] 1 1455 1 49 VAL QG 1 50 ALA H 3.500 2.800 4.200 2.150 1.934 2.196 0.866 28 30 [**********-****************+**] 1 1456 1 49 VAL QG 1 50 ALA HA 4.000 3.200 4.800 2.022 1.855 2.237 1.345 26 30 [****-********************+****] 1 1457 1 49 VAL QG 1 50 ALA MB 4.200 3.400 5.000 2.773 2.630 2.849 0.770 26 30 [************-************+****] 1 1458 1 49 VAL QG 1 51 TYR H 4.700 3.800 5.600 4.170 4.095 4.254 . 0 0 "[ . 1 . 2 . 3]" 1 1459 1 49 VAL QG 1 51 TYR H 3.800 3.000 4.600 3.598 3.523 3.680 . 0 0 "[ . 1 . 2 . 3]" 1 1460 1 49 VAL QG 1 51 TYR H 3.900 3.100 4.700 3.515 3.267 3.895 . 0 0 "[ . 1 . 2 . 3]" 1 1461 1 49 VAL QG 1 52 ALA H 4.300 3.400 5.200 4.482 4.357 4.625 . 0 0 "[ . 1 . 2 . 3]" 1 1462 1 49 VAL QG 1 52 ALA MB 3.400 2.700 4.100 2.043 1.711 2.642 0.989 12 23 "[* * * **-**+**** * 2******* **]" 1 1463 1 49 VAL QG 1 53 VAL H 3.300 2.600 4.000 1.840 1.786 1.873 0.814 23 30 [******************-***+*******] 1 1464 1 49 VAL QG 1 53 VAL MG2 2.600 2.100 3.100 1.823 1.622 1.976 0.478 25 0 "[ . 1 . 2 . 3]" 1 1465 1 49 VAL QG 1 147 GLU H 4.600 3.700 5.500 5.417 4.847 5.796 0.296 21 0 "[ . 1 . 2 . 3]" 1 1466 1 49 VAL QG 1 75 ASP QB 4.700 3.800 5.600 5.165 4.403 5.623 0.023 4 0 "[ . 1 . 2 . 3]" 1 1467 1 50 ALA H 1 50 ALA MB 3.600 2.900 4.100 2.242 2.231 2.253 0.669 27 30 [***************-**********+***] 1 1468 1 50 ALA H 1 51 TYR H 3.400 2.700 3.500 2.633 2.565 2.750 0.135 25 0 "[ . 1 . 2 . 3]" 1 1469 1 50 ALA H 1 51 TYR QB 4.500 3.600 5.400 4.555 4.457 4.667 . 0 0 "[ . 1 . 2 . 3]" 1 1470 1 50 ALA H 1 52 ALA H 4.000 3.200 4.800 4.059 3.827 4.259 . 0 0 "[ . 1 . 2 . 3]" 1 1471 1 50 ALA H 1 53 VAL H 4.500 3.600 5.400 4.826 4.711 4.934 . 0 0 "[ . 1 . 2 . 3]" 1 1472 1 50 ALA H 1 75 ASP QB 4.600 3.700 5.500 5.074 4.391 5.456 . 0 0 "[ . 1 . 2 . 3]" 1 1473 1 50 ALA HA 1 51 TYR H 4.600 3.700 5.500 3.517 3.496 3.539 0.204 25 0 "[ . 1 . 2 . 3]" 1 1474 1 50 ALA HA 1 53 VAL H . 3.700 4.200 3.667 3.427 3.947 0.273 16 0 "[ . 1 . 2 . 3]" 1 1475 1 50 ALA HA 1 53 VAL HB 4.100 3.300 4.900 4.904 4.671 5.229 0.329 5 0 "[ . 1 . 2 . 3]" 1 1476 1 50 ALA HA 1 53 VAL QG 4.100 3.300 4.900 2.047 1.877 2.305 1.423 26 30 [****-********************+****] 1 1477 1 50 ALA HA 1 54 MET H 4.200 3.400 5.000 3.943 3.800 4.088 . 0 0 "[ . 1 . 2 . 3]" 1 1478 1 50 ALA MB 1 51 TYR H 3.300 2.600 4.000 2.589 2.444 2.704 0.156 5 0 "[ . 1 . 2 . 3]" 1 1479 1 50 ALA MB 1 51 TYR QE 6.000 4.800 7.200 4.369 3.434 4.682 1.366 1 5 "[+ - **1 . 2 * 3]" 1 1480 1 50 ALA MB 1 54 MET ME 4.200 3.400 5.000 2.591 2.136 3.282 1.264 27 21 "[*** .** * * *****2-*****+* *]" 1 1481 1 50 ALA MB 1 72 ARG H 3.600 2.900 4.300 4.054 3.846 4.249 . 0 0 "[ . 1 . 2 . 3]" 1 1482 1 50 ALA MB 1 74 ILE MG 3.700 3.000 4.400 2.234 2.203 2.275 0.797 27 30 [***-**********************+***] 1 1483 1 50 ALA MB 1 75 ASP QB 5.200 4.200 6.200 2.219 1.957 2.405 2.243 23 30 [**********************+-******] 1 1484 1 51 TYR H 1 51 TYR HA 3.200 2.600 3.800 2.854 2.839 2.860 . 0 0 "[ . 1 . 2 . 3]" 1 1485 1 51 TYR H 1 51 TYR QB 3.200 2.600 3.700 2.291 2.228 2.351 0.372 9 0 "[ . 1 . 2 . 3]" 1 1486 1 51 TYR H 1 51 TYR QE 3.700 3.000 4.400 4.765 4.395 4.908 0.508 22 1 "[ . 1 . 2 + . 3]" 1 1487 1 51 TYR H 1 52 ALA H 3.000 3.000 3.600 2.489 2.397 2.542 0.603 16 17 "[ ***.*** 1* * .+* **** *. * -]" 1 1488 1 51 TYR H 1 52 ALA MB 3.700 3.000 4.400 4.172 4.098 4.227 . 0 0 "[ . 1 . 2 . 3]" 1 1489 1 51 TYR H 1 53 VAL H 4.500 3.600 5.400 4.153 4.050 4.278 . 0 0 "[ . 1 . 2 . 3]" 1 1490 1 51 TYR H 1 54 MET ME 4.800 3.800 5.800 3.856 3.404 4.754 0.396 27 0 "[ . 1 . 2 . 3]" 1 1491 1 51 TYR HA 1 51 TYR QD 5.200 4.200 6.200 2.332 2.118 2.917 2.082 23 30 [-*********************+*******] 1 1492 1 51 TYR HA 1 51 TYR QE 5.700 4.600 6.800 4.353 4.272 4.567 0.328 17 0 "[ . 1 . 2 . 3]" 1 1493 1 51 TYR HA 1 52 ALA H 4.200 3.400 5.000 3.505 3.454 3.531 . 0 0 "[ . 1 . 2 . 3]" 1 1494 1 51 TYR HA 1 54 MET H 3.800 3.000 4.600 3.643 3.353 3.880 . 0 0 "[ . 1 . 2 . 3]" 1 1495 1 51 TYR HA 1 54 MET ME 4.100 3.600 4.900 2.343 1.894 3.157 1.706 16 29 "[*** ****-******+**************]" 1 1496 1 51 TYR HA 1 55 ALA H 3.900 3.100 4.700 3.907 3.725 4.055 . 0 0 "[ . 1 . 2 . 3]" 1 1497 1 51 TYR QB 1 52 ALA H 4.100 3.300 4.900 2.667 2.492 2.849 0.808 9 28 "[********+****** ******* **-***]" 1 1498 1 51 TYR QB 1 52 ALA HA 4.900 3.900 5.900 3.900 3.796 3.972 0.104 9 0 "[ . 1 . 2 . 3]" 1 1499 1 51 TYR QB 1 54 MET ME 5.200 4.300 6.200 3.966 3.568 4.677 0.732 27 14 "[*-* .* * * .* **2 * ** + *]" 1 1500 1 51 TYR QB 1 55 ALA H 3.600 2.900 4.300 4.726 4.552 4.948 0.648 26 4 "[ . -1 . 2 *.+ * 3]" 1 1501 1 51 TYR QB 1 55 ALA MB 4.800 3.800 5.800 3.827 3.703 4.037 0.097 17 0 "[ . 1 . 2 . 3]" 1 1502 1 51 TYR QD 1 52 ALA H 4.800 3.800 5.800 4.443 4.246 4.588 . 0 0 "[ . 1 . 2 . 3]" 1 1503 1 51 TYR QE 1 54 MET ME 6.100 4.900 7.300 3.250 2.832 4.340 2.068 30 30 [********-********************+] 1 1504 1 51 TYR QE 1 72 ARG QG 5.000 4.000 6.000 5.147 3.942 5.884 0.058 13 0 "[ . 1 . 2 . 3]" 1 1505 1 51 TYR QE 1 194 VAL QG 6.600 5.300 7.900 4.720 4.159 5.781 1.141 21 22 "[ ****** 1*- *.** **+***.*****]" 1 1506 1 51 TYR QE 1 198 VAL HA 4.800 3.800 5.800 3.058 2.688 3.940 1.112 24 26 "[-******* * ************+.****3]" 1 1507 1 51 TYR QE 1 198 VAL QG 4.600 3.700 5.500 1.932 1.758 2.464 1.942 22 30 [********-************+********] 1 1508 1 51 TYR QE 1 198 VAL QG 5.300 4.200 6.400 1.911 1.756 2.356 2.444 22 30 [-********************+********] 1 1509 1 51 TYR QE 1 201 ASP QB 5.300 4.200 6.400 3.366 2.866 3.622 1.334 21 30 [*****************-**+*********] 1 1510 1 51 TYR QE 1 202 LEU QD 5.900 4.700 7.100 3.778 2.196 4.569 2.504 9 25 "[* *-.***+* **** *************3]" 1 1511 1 52 ALA H 1 52 ALA MB 3.400 2.800 4.100 2.232 2.204 2.251 0.596 3 30 [**+********************-******] 1 1512 1 52 ALA H 1 53 VAL H 3.600 2.900 4.300 2.678 2.537 2.807 0.363 24 0 "[ . 1 . 2 . 3]" 1 1513 1 52 ALA H 1 55 ALA MB 5.200 4.200 6.200 4.451 4.326 4.596 . 0 0 "[ . 1 . 2 . 3]" 1 1514 1 52 ALA HA 1 55 ALA H 3.000 2.400 3.600 3.419 3.310 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 1515 1 52 ALA HA 1 53 VAL QG 4.700 3.800 5.600 3.877 3.696 3.977 0.104 15 0 "[ . 1 . 2 . 3]" 1 1516 1 52 ALA HA 1 53 VAL QG 4.100 3.300 4.900 3.720 3.525 3.955 . 0 0 "[ . 1 . 2 . 3]" 1 1517 1 52 ALA HA 1 55 ALA MB 3.800 3.500 4.600 2.634 2.423 2.845 1.077 18 30 [*****************+*********-**] 1 1518 1 52 ALA MB 1 53 VAL H 3.600 2.900 4.300 2.491 2.297 2.614 0.603 29 5 "[ . - 1 * *. * 2 . +3]" 1 1519 1 52 ALA MB 1 53 VAL QG 3.700 3.000 4.400 2.297 1.866 2.748 1.134 22 14 "[ * *.* 1 * *.** *2*+ * * -*]" 1 1520 1 52 ALA MB 1 54 MET H 4.100 3.300 4.900 4.619 4.470 4.746 . 0 0 "[ . 1 . 2 . 3]" 1 1521 1 52 ALA MB 1 55 ALA H 4.200 3.400 5.000 4.615 4.469 4.761 . 0 0 "[ . 1 . 2 . 3]" 1 1522 1 52 ALA MB 1 55 ALA MB 5.200 4.200 6.100 3.872 3.717 4.006 0.483 15 0 "[ . 1 . 2 . 3]" 1 1523 1 52 ALA MB 1 56 LEU QD 4.000 3.200 4.800 3.668 3.271 4.286 . 0 0 "[ . 1 . 2 . 3]" 1 1524 1 52 ALA MB 1 56 LEU QD 3.500 2.800 4.200 2.976 2.851 3.166 . 0 0 "[ . 1 . 2 . 3]" 1 1525 1 52 ALA MB 1 114 ALA H 3.800 3.000 4.600 4.409 4.032 4.523 . 0 0 "[ . 1 . 2 . 3]" 1 1526 1 53 VAL H 1 53 VAL HA 3.200 2.600 3.800 2.840 2.798 2.863 . 0 0 "[ . 1 . 2 . 3]" 1 1527 1 53 VAL H 1 53 VAL HA 3.800 3.000 4.600 2.793 2.749 2.818 0.251 29 0 "[ . 1 . 2 . 3]" 1 1528 1 53 VAL H 1 53 VAL HB 3.100 2.500 3.700 3.639 3.623 3.650 . 0 0 "[ . 1 . 2 . 3]" 1 1529 1 53 VAL H 1 53 VAL HB 3.400 2.700 4.100 2.563 2.326 2.674 0.374 8 0 "[ . 1 . 2 . 3]" 1 1530 1 53 VAL H 1 53 VAL QG 3.400 2.700 4.100 1.880 1.857 1.907 0.843 26 30 [*********-***************+****] 1 1531 1 53 VAL H 1 53 VAL QG 3.100 2.500 3.700 1.874 1.851 1.900 0.649 26 30 [*********-***************+****] 1 1532 1 53 VAL H 1 53 VAL QG 3.100 2.500 3.700 1.754 1.695 1.840 0.805 4 30 [***+*******************-******] 1 1533 1 53 VAL H 1 54 MET H 3.500 2.800 4.200 2.655 2.499 2.810 0.301 27 0 "[ . 1 . 2 . 3]" 1 1534 1 53 VAL H 1 54 MET H 2.900 2.300 3.500 2.330 2.228 2.406 0.072 27 0 "[ . 1 . 2 . 3]" 1 1535 1 53 VAL H 1 54 MET HA 4.100 3.300 4.900 5.152 5.052 5.247 0.347 15 0 "[ . 1 . 2 . 3]" 1 1536 1 53 VAL H 1 54 MET ME 4.500 3.600 5.400 4.179 3.931 4.575 . 0 0 "[ . 1 . 2 . 3]" 1 1537 1 53 VAL H 1 55 ALA MB 3.700 3.000 4.400 2.240 2.223 2.255 0.777 28 30 [*****-*********************+**] 1 1538 1 53 VAL H 1 56 LEU H 3.500 2.800 4.200 2.582 2.479 2.736 0.321 12 0 "[ . 1 . 2 . 3]" 1 1539 1 53 VAL H 1 56 LEU QD 3.900 3.100 4.700 4.139 3.542 4.497 . 0 0 "[ . 1 . 2 . 3]" 1 1540 1 53 VAL H 1 55 ALA MB 5.200 4.200 6.200 4.558 4.469 4.661 . 0 0 "[ . 1 . 2 . 3]" 1 1541 1 53 VAL HA 1 53 VAL HB 3.300 2.600 4.000 2.343 2.319 2.363 0.281 27 0 "[ . 1 . 2 . 3]" 1 1542 1 53 VAL HA 1 53 VAL QG 3.200 2.600 3.800 1.909 1.756 1.947 0.844 10 30 [*********+**************-*****] 1 1543 1 53 VAL HA 1 54 MET H 3.500 2.800 4.200 3.559 3.528 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 1544 1 53 VAL HA 1 54 MET HA 4.300 3.400 5.200 4.780 4.742 4.821 . 0 0 "[ . 1 . 2 . 3]" 1 1545 1 53 VAL HA 1 56 LEU H 4.100 3.300 4.200 3.425 3.174 3.610 0.126 25 0 "[ . 1 . 2 . 3]" 1 1546 1 53 VAL HA 1 56 LEU QB 4.100 3.700 4.900 2.967 2.627 3.469 1.073 25 25 "[****.** **-** *****2****+** **]" 1 1547 1 53 VAL HA 1 56 LEU QD 3.400 2.700 4.100 2.633 2.213 3.227 0.487 25 0 "[ . 1 . 2 . 3]" 1 1548 1 53 VAL HA 1 58 VAL QG 3.900 3.100 4.700 2.603 2.376 2.803 0.724 10 13 "[ * .** + ** * ** 2 * -* * 3]" 1 1549 1 53 VAL HB 1 54 MET H 3.100 2.500 3.700 3.629 3.458 3.852 0.152 27 0 "[ . 1 . 2 . 3]" 1 1550 1 53 VAL HB 1 58 VAL H 4.000 3.200 4.800 4.735 4.315 5.016 0.216 9 0 "[ . 1 . 2 . 3]" 1 1551 1 53 VAL QG 1 54 MET H 3.600 2.900 4.300 1.892 1.758 2.104 1.142 15 30 [**************+***********-***] 1 1552 1 53 VAL QG 1 54 MET H 3.500 2.800 4.200 1.889 1.754 2.102 1.046 15 30 [**************+***********-***] 1 1553 1 53 VAL QG 1 54 MET HA 4.500 3.600 5.400 2.774 2.161 2.924 1.439 11 30 [**********+**************-****] 1 1554 1 53 VAL QG 1 55 ALA H 4.000 3.200 4.800 3.873 3.799 3.992 . 0 0 "[ . 1 . 2 . 3]" 1 1555 1 53 VAL QG 1 56 LEU QD 5.000 4.000 6.000 3.466 3.003 4.017 0.997 25 17 "[ * .** **** *****2 - +** *3]" 1 1556 1 53 VAL QG 1 58 VAL H 4.300 3.400 5.200 4.033 3.923 4.147 . 0 0 "[ . 1 . 2 . 3]" 1 1557 1 53 VAL QG 1 146 THR H 4.100 3.300 4.900 4.246 3.968 4.443 . 0 0 "[ . 1 . 2 . 3]" 1 1558 1 53 VAL QG 1 80 THR H 3.900 3.100 4.700 4.349 3.703 4.501 . 0 0 "[ . 1 . 2 . 3]" 1 1559 1 53 VAL QG 1 184 GLY H 4.300 3.400 5.200 5.430 5.286 5.602 0.402 15 0 "[ . 1 . 2 . 3]" 1 1560 1 54 MET H 1 54 MET HA 3.200 2.600 3.800 2.812 2.790 2.838 . 0 0 "[ . 1 . 2 . 3]" 1 1561 1 54 MET H 1 54 MET ME 4.100 3.300 4.600 3.623 3.428 3.962 . 0 0 "[ . 1 . 2 . 3]" 1 1562 1 54 MET H 1 55 ALA H 3.100 2.500 3.700 2.582 2.502 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 1563 1 54 MET H 1 55 ALA MB 4.100 3.300 4.900 4.276 4.192 4.341 . 0 0 "[ . 1 . 2 . 3]" 1 1564 1 54 MET H 1 60 TRP HE1 4.100 3.300 4.900 5.317 4.746 5.876 0.976 9 12 "[ ** *+1* -* * ** * *]" 1 1565 1 54 MET HA 1 54 MET ME 5.000 4.000 6.000 4.387 4.207 4.466 . 0 0 "[ . 1 . 2 . 3]" 1 1566 1 54 MET HA 1 55 ALA H 3.100 2.500 3.700 3.479 3.464 3.496 . 0 0 "[ . 1 . 2 . 3]" 1 1567 1 54 MET HA 1 56 LEU H 3.200 2.600 3.800 2.820 2.800 2.844 . 0 0 "[ . 1 . 2 . 3]" 1 1568 1 54 MET HA 1 57 GLY H 3.600 2.900 4.300 3.013 2.851 3.130 0.049 30 0 "[ . 1 . 2 . 3]" 1 1569 1 54 MET HA 1 58 VAL H 3.300 2.600 4.000 3.444 2.303 3.965 0.297 28 0 "[ . 1 . 2 . 3]" 1 1570 1 54 MET HA 1 57 GLY H 4.700 3.800 5.600 3.148 2.913 3.350 0.887 30 29 "[****-*** ********************+]" 1 1571 1 54 MET HA 1 58 VAL QG 4.200 3.400 5.000 3.531 2.223 4.301 1.177 11 2 "[ . 1+ - 2 . 3]" 1 1572 1 54 MET HA 1 60 TRP HD1 4.800 3.800 5.500 3.582 3.303 4.084 0.497 13 0 "[ . 1 . 2 . 3]" 1 1573 1 54 MET HA 1 60 TRP HE1 . 3.800 3.800 2.814 2.103 3.592 1.697 22 26 "[****-** * ********2*+********]" 1 1574 1 54 MET ME 1 55 ALA H 3.800 3.000 4.600 4.050 3.494 4.278 . 0 0 "[ . 1 . 2 . 3]" 1 1575 1 54 MET ME 1 69 PHE QB 5.800 4.600 7.000 3.404 3.120 3.690 1.480 4 30 [***+***********************-**] 1 1576 1 54 MET ME 1 72 ARG H . 4.200 4.900 4.248 3.182 5.253 1.018 9 8 "[ *- *+1** . * . *3]" 1 1577 1 54 MET ME 1 72 ARG QG 3.900 3.100 4.700 3.419 2.879 4.085 0.221 5 0 "[ . 1 . 2 . 3]" 1 1578 1 55 ALA H 1 55 ALA MB 3.200 2.600 3.800 2.245 2.229 2.260 0.371 28 0 "[ . 1 . 2 . 3]" 1 1579 1 55 ALA H 1 56 LEU H 3.300 2.600 4.000 2.592 2.489 2.747 0.111 12 0 "[ . 1 . 2 . 3]" 1 1580 1 55 ALA H 1 57 GLY H 3.800 3.700 4.600 4.021 3.825 4.231 . 0 0 "[ . 1 . 2 . 3]" 1 1581 1 55 ALA H 1 60 TRP HE1 4.200 3.400 5.000 4.356 4.175 4.638 . 0 0 "[ . 1 . 2 . 3]" 1 1582 1 55 ALA H 1 60 TRP HE1 3.800 3.000 4.600 4.994 4.690 5.338 0.738 27 6 "[ . * ** . 2 -. + *]" 1 1583 1 55 ALA HA 1 56 LEU H 4.400 3.500 5.300 3.469 3.376 3.534 0.124 16 0 "[ . 1 . 2 . 3]" 1 1584 1 55 ALA HA 1 60 TRP HE1 4.200 3.400 5.000 4.642 4.155 5.173 0.173 27 0 "[ . 1 . 2 . 3]" 1 1585 1 55 ALA MB 1 56 LEU H 4.100 3.300 4.800 2.822 2.552 3.120 0.748 4 15 "[ +* **** ** - * * *** * 3]" 1 1586 1 55 ALA MB 1 56 LEU QB 6.100 4.900 7.300 4.306 4.115 4.406 0.785 28 29 "[*****-*********************+ *]" 1 1587 1 55 ALA MB 1 56 LEU QD 5.200 4.200 6.200 3.531 2.238 3.726 1.962 28 27 "[* ***-***1**************.**+**]" 1 1588 1 55 ALA MB 1 56 LEU HG 4.900 4.200 5.900 3.294 3.139 4.028 1.061 20 29 "[***************-***+******* **]" 1 1589 1 55 ALA MB 1 57 GLY H 5.100 4.100 6.100 4.293 4.083 4.555 0.017 4 0 "[ . 1 . 2 . 3]" 1 1590 1 56 LEU H 1 56 LEU HA 3.800 3.000 4.600 2.892 2.843 2.932 0.157 11 0 "[ . 1 . 2 . 3]" 1 1591 1 56 LEU H 1 56 LEU QB . 3.400 3.800 2.352 2.294 2.418 1.106 2 30 [*+************************-***] 1 1592 1 56 LEU H 1 56 LEU QD 3.600 2.900 4.300 3.256 2.181 3.436 0.719 28 1 "[ . 1 . 2 . + 3]" 1 1593 1 56 LEU H 1 56 LEU HG 3.600 2.900 3.800 2.708 2.366 3.634 0.534 14 1 "[ . 1 +. 2 . 3]" 1 1594 1 56 LEU H 1 57 GLY H 3.500 2.900 4.200 2.473 2.180 2.801 0.720 30 9 "[* .* * 1 * .* -2 * . * +]" 1 1595 1 56 LEU H 1 58 VAL H 3.900 3.100 4.600 3.610 3.168 4.006 . 0 0 "[ . 1 . 2 . 3]" 1 1596 1 56 LEU H 1 58 VAL QG 4.400 3.500 5.300 3.623 3.466 4.301 0.034 29 0 "[ . 1 . 2 . 3]" 1 1597 1 56 LEU HA 1 56 LEU QD 3.400 3.300 4.100 2.017 1.904 2.914 1.396 16 29 "[***************+**********- **]" 1 1598 1 56 LEU HA 1 56 LEU QD 2.900 2.300 3.500 2.010 1.900 2.816 0.400 16 0 "[ . 1 . 2 . 3]" 1 1599 1 56 LEU HA 1 58 VAL H 4.400 3.800 5.300 4.549 4.214 4.981 . 0 0 "[ . 1 . 2 . 3]" 1 1600 1 56 LEU QB 1 57 GLY H 4.000 3.200 4.700 3.334 3.140 3.637 0.060 1 0 "[ . 1 . 2 . 3]" 1 1601 1 56 LEU QB 1 58 VAL H 3.700 3.000 4.400 2.987 2.724 3.795 0.276 26 0 "[ . 1 . 2 . 3]" 1 1602 1 56 LEU QB 1 58 VAL H 2.900 2.300 3.500 2.541 2.309 2.979 . 0 0 "[ . 1 . 2 . 3]" 1 1603 1 56 LEU QB 1 58 VAL H 4.600 3.700 5.500 2.941 2.702 3.604 0.998 26 27 "[********** * ************+- **]" 1 1604 1 56 LEU QD 1 57 GLY H 4.800 3.900 5.800 4.387 4.142 4.456 . 0 0 "[ . 1 . 2 . 3]" 1 1605 1 56 LEU QD 1 58 VAL H 4.600 3.700 5.500 4.448 4.222 4.774 . 0 0 "[ . 1 . 2 . 3]" 1 1606 1 56 LEU QD 1 96 ARG H 6.200 5.000 7.400 5.408 5.209 5.597 . 0 0 "[ . 1 . 2 . 3]" 1 1607 1 57 GLY H 1 57 GLY QA 3.200 2.600 3.800 2.262 2.209 2.304 0.391 24 0 "[ . 1 . 2 . 3]" 1 1608 1 57 GLY H 1 58 VAL H 3.100 2.500 3.700 2.536 2.158 2.821 0.342 11 0 "[ . 1 . 2 . 3]" 1 1609 1 57 GLY H 1 58 VAL H 3.400 2.700 4.100 2.519 2.154 2.794 0.546 11 1 "[ . 1+ . 2 . 3]" 1 1610 1 57 GLY H 1 58 VAL QG 4.400 3.500 5.300 3.690 3.391 4.189 0.109 8 0 "[ . 1 . 2 . 3]" 1 1611 1 57 GLY H 1 60 TRP HD1 4.100 3.300 4.900 4.855 4.426 5.334 0.434 11 0 "[ . 1 . 2 . 3]" 1 1612 1 57 GLY H 1 60 TRP HE1 4.000 3.200 4.600 3.701 3.324 4.279 . 0 0 "[ . 1 . 2 . 3]" 1 1613 1 57 GLY QA 1 58 VAL H 3.200 2.600 3.800 2.885 2.801 2.938 . 0 0 "[ . 1 . 2 . 3]" 1 1614 1 57 GLY QA 1 60 TRP HE1 3.500 2.800 4.200 3.278 2.779 3.766 0.021 8 0 "[ . 1 . 2 . 3]" 1 1615 1 57 GLY QA 1 60 TRP HZ2 4.900 3.900 5.900 3.763 3.124 4.370 0.776 23 3 "[* . 1 . - 2 + . 3]" 1 1616 1 58 VAL H 1 58 VAL HB 3.200 2.600 3.800 2.466 2.227 3.245 0.373 11 0 "[ . 1 . 2 . 3]" 1 1617 1 58 VAL H 1 58 VAL QG 3.300 2.600 3.600 2.061 1.766 2.533 0.834 15 20 "[** ** -* * * *+* *** **** **]" 1 1618 1 58 VAL H 1 59 GLY H 3.800 3.200 4.600 4.425 2.742 4.675 0.458 30 0 "[ . 1 . 2 . 3]" 1 1619 1 58 VAL H 1 60 TRP HD1 4.600 3.700 4.600 4.530 3.586 5.248 0.648 12 2 "[ . 1 + . 2 .- 3]" 1 1620 1 58 VAL H 1 60 TRP HE1 3.800 3.000 4.600 4.701 3.662 5.371 0.771 26 5 "[ * .- 1 * .* 2 .+ 3]" 1 1621 1 58 VAL H 1 60 TRP HE1 3.200 2.600 3.800 2.796 2.735 2.815 . 0 0 "[ . 1 . 2 . 3]" 1 1622 1 58 VAL HA 1 58 VAL HB 3.400 2.700 4.100 2.638 2.305 2.974 0.395 15 0 "[ . 1 . 2 . 3]" 1 1623 1 58 VAL HA 1 58 VAL QG 3.200 2.700 3.800 2.232 2.109 2.470 0.591 11 13 "[ *** *1+ **. - *** . ** 3]" 1 1624 1 58 VAL HA 1 58 VAL QG 3.300 2.600 4.000 2.156 1.965 2.298 0.635 9 9 "[* * *+1* * * . - *]" 1 1625 1 58 VAL HA 1 59 GLY H 3.400 2.700 3.400 2.334 2.171 3.095 0.529 3 7 "[ +*. 1 * . *2- .* * 3]" 1 1626 1 58 VAL HA 1 60 TRP H . 3.300 3.700 3.345 3.108 4.140 0.440 24 0 "[ . 1 . 2 . 3]" 1 1627 1 58 VAL HA 1 85 TYR H 3.800 3.000 4.600 4.869 4.812 4.933 0.333 16 0 "[ . 1 . 2 . 3]" 1 1628 1 58 VAL HA 1 129 MET H 4.900 3.900 5.900 5.699 5.600 5.808 . 0 0 "[ . 1 . 2 . 3]" 1 1629 1 58 VAL HB 1 59 GLY H 4.600 3.700 4.600 3.759 2.494 4.435 1.206 16 7 "[* . 1 *+ 2 * *- *3]" 1 1630 1 58 VAL HB 1 60 TRP H 4.300 3.400 5.200 5.213 4.715 5.920 0.720 24 3 "[ . * 1 . 2 +. -]" 1 1631 1 58 VAL QG 1 59 GLY H 3.700 3.000 4.100 2.597 1.933 3.417 1.067 17 17 "[ * **** ****-*. +* *** . * 3]" 1 1632 1 58 VAL QG 1 60 TRP H 3.800 3.000 4.600 4.113 3.691 4.589 . 0 0 "[ . 1 . 2 . 3]" 1 1633 1 58 VAL QG 1 60 TRP HE1 4.600 3.700 5.500 5.108 4.563 5.636 0.136 5 0 "[ . 1 . 2 . 3]" 1 1634 1 59 GLY H 1 59 GLY QA 3.200 2.600 3.800 2.264 2.208 2.480 0.392 11 0 "[ . 1 . 2 . 3]" 1 1635 1 59 GLY H 1 60 TRP H 3.300 2.600 3.700 2.499 1.749 2.995 0.851 8 3 "[ . + 1 . 2 -. *]" 1 1636 1 59 GLY H 1 60 TRP HA 4.200 3.400 5.000 5.071 4.238 5.387 0.387 16 0 "[ . 1 . 2 . 3]" 1 1637 1 59 GLY H 1 60 TRP HD1 4.000 3.200 4.800 4.173 2.935 4.834 0.265 8 0 "[ . 1 . 2 . 3]" 1 1638 1 59 GLY H 1 70 VAL HB 4.300 3.400 5.200 5.999 5.449 6.228 1.028 16 29 [**************.+-*************] 1 1639 1 59 GLY H 1 70 VAL QG 5.100 4.100 6.100 4.755 3.237 5.642 0.863 16 1 "[ . 1 .+ 2 . 3]" 1 1640 1 59 GLY QA 1 60 TRP H 2.900 2.300 3.500 2.269 2.211 2.315 0.089 4 0 "[ . 1 . 2 . 3]" 1 1641 1 59 GLY QA 1 61 VAL H 3.400 2.700 4.100 3.457 3.266 3.543 . 0 0 "[ . 1 . 2 . 3]" 1 1642 1 59 GLY QA 1 69 PHE HA 4.900 3.900 5.900 4.404 3.376 4.981 0.524 16 1 "[ . 1 .+ 2 . 3]" 1 1643 1 60 TRP H 1 60 TRP QB . 3.400 3.800 2.374 2.288 2.435 1.112 4 30 [***+*****************-********] 1 1644 1 60 TRP H 1 60 TRP HD1 . 3.200 3.600 2.433 2.025 2.989 1.175 20 23 "[****** *******.* **+** .***-3]" 1 1645 1 60 TRP H 1 60 TRP HE1 4.200 3.400 5.000 4.823 4.499 5.460 0.460 7 0 "[ . 1 . 2 . 3]" 1 1646 1 60 TRP H 1 61 VAL H 3.500 3.100 4.200 4.264 3.988 4.489 0.289 8 0 "[ . 1 . 2 . 3]" 1 1647 1 60 TRP H 1 61 VAL QG 4.100 3.300 4.900 4.901 3.878 5.310 0.410 26 0 "[ . 1 . 2 . 3]" 1 1648 1 60 TRP H 1 67 THR MG 5.000 4.000 5.000 5.422 4.646 6.021 1.021 18 12 "[ * *.* * **** . +** - . 3]" 1 1649 1 60 TRP H 1 69 PHE QD 4.600 3.700 5.500 4.531 3.964 4.799 . 0 0 "[ . 1 . 2 . 3]" 1 1650 1 60 TRP H 1 69 PHE QE 4.600 3.700 5.500 5.862 5.398 5.977 0.477 4 0 "[ . 1 . 2 . 3]" 1 1651 1 60 TRP HA 1 60 TRP HD1 4.600 3.700 5.500 2.792 2.427 3.036 1.273 24 30 [***************-*******+******] 1 1652 1 60 TRP HA 1 61 VAL H . 3.100 3.200 2.190 2.145 2.354 0.955 8 30 [*******+*******-**************] 1 1653 1 60 TRP HA 1 61 VAL QG 4.500 3.600 5.400 3.043 2.965 3.288 0.635 1 26 "[+********** **. ***********-*]" 1 1654 1 60 TRP HA 1 61 VAL QG 4.900 3.900 5.900 3.584 3.485 3.693 0.415 25 0 "[ . 1 . 2 . 3]" 1 1655 1 60 TRP HA 1 67 THR MG 4.300 3.400 5.200 2.549 2.116 2.870 1.284 24 30 [*****************-*****+******] 1 1656 1 60 TRP HA 1 68 VAL H 3.200 2.600 3.800 3.585 3.184 3.812 0.012 17 0 "[ . 1 . 2 . 3]" 1 1657 1 60 TRP HA 1 67 THR MG 5.000 4.000 6.000 3.431 2.712 4.012 1.288 16 17 "[ * * -1 ***+* 2* ********]" 1 1658 1 60 TRP HA 1 70 VAL H 3.400 2.700 4.100 2.125 2.093 2.154 0.607 8 30 [*******+********-*************] 1 1659 1 60 TRP HA 1 69 PHE QD 5.200 4.200 6.200 2.387 2.005 2.832 2.195 28 30 [-**************************+**] 1 1660 1 60 TRP HA 1 70 VAL QG 5.600 4.500 6.700 4.565 3.934 5.300 0.566 1 4 "[+ . 1 -. 2 .* *]" 1 1661 1 60 TRP QB 1 60 TRP HE3 4.400 3.500 5.200 2.493 2.423 2.608 1.077 21 30 [********************+**-******] 1 1662 1 60 TRP QB 1 61 VAL H 3.300 2.600 4.000 3.584 3.307 3.851 . 0 0 "[ . 1 . 2 . 3]" 1 1663 1 60 TRP QB 1 67 THR MG 4.400 4.100 5.300 2.757 1.930 3.359 2.170 23 30 [**********-***********+*******] 1 1664 1 60 TRP HD1 1 61 VAL H 3.600 2.900 4.300 4.851 4.512 5.036 0.736 3 22 "[**+**** ** * .*-***** *****3]" 1 1665 1 60 TRP HD1 1 69 PHE HA 4.700 3.800 5.600 4.010 3.507 4.445 0.293 30 0 "[ . 1 . 2 . 3]" 1 1666 1 60 TRP HD1 1 69 PHE QD 5.400 4.300 6.500 2.988 2.579 3.512 1.721 24 30 [**-********************+******] 1 1667 1 60 TRP HE1 1 69 PHE QB 3.600 2.900 4.300 4.143 3.704 4.730 0.430 15 0 "[ . 1 . 2 . 3]" 1 1668 1 60 TRP HE3 1 67 THR MG 4.300 3.800 5.200 3.255 2.676 4.282 1.124 9 18 "[* *** * +* *.** -*** *** *3]" 1 1669 1 61 VAL H 1 61 VAL HA 3.200 2.600 3.800 2.930 2.902 2.944 . 0 0 "[ . 1 . 2 . 3]" 1 1670 1 61 VAL H 1 61 VAL HB . 3.000 3.100 2.928 2.508 3.102 0.492 15 0 "[ . 1 . 2 . 3]" 1 1671 1 61 VAL H 1 61 VAL QG 3.700 3.200 4.400 2.009 1.883 2.399 1.317 16 30 [**************-+**************] 1 1672 1 61 VAL H 1 61 VAL QG 3.100 2.500 3.700 1.999 1.881 2.335 0.619 16 19 "[** *** **** * .+ -*2** *. ** *]" 1 1673 1 61 VAL H 1 67 THR HA 3.600 2.900 4.300 5.319 5.022 5.632 1.332 19 30 [*************-****+***********] 1 1674 1 61 VAL H 1 67 THR MG . 3.700 4.100 3.363 2.867 3.773 0.833 23 7 "[ . 1 ** - 2 +*.* *]" 1 1675 1 61 VAL H 1 68 VAL H 3.400 2.700 4.100 3.927 3.605 4.250 0.150 24 0 "[ . 1 . 2 . 3]" 1 1676 1 61 VAL H 1 69 PHE QD 3.900 3.100 4.700 3.947 3.561 4.308 . 0 0 "[ . 1 . 2 . 3]" 1 1677 1 61 VAL H 1 69 PHE QE 4.100 3.300 4.900 5.316 4.950 5.776 0.876 9 10 "[* * *+1 - .* 2*** . *]" 1 1678 1 61 VAL H 1 70 VAL QG 3.700 3.000 4.400 3.982 3.082 4.890 0.490 7 0 "[ . 1 . 2 . 3]" 1 1679 1 61 VAL H 1 70 VAL QG 4.700 3.800 5.600 2.946 2.055 3.130 1.745 25 30 [********************-***+*****] 1 1680 1 61 VAL HA 1 61 VAL QG 3.800 3.000 4.600 2.282 2.096 2.350 0.904 15 30 [**************+***********-***] 1 1681 1 61 VAL QG 1 62 PRO HA 4.800 3.800 5.800 3.205 3.104 3.369 0.696 18 28 "[*************** *+**** *****-*]" 1 1682 1 61 VAL QG 1 62 PRO HA 4.300 3.400 5.200 3.257 3.126 3.632 0.274 3 0 "[ . 1 . 2 . 3]" 1 1683 1 61 VAL QG 1 63 VAL H 3.500 2.800 4.200 2.815 2.640 2.882 0.160 16 0 "[ . 1 . 2 . 3]" 1 1684 1 61 VAL QG 1 67 THR HA 4.500 3.600 5.400 2.915 2.834 3.045 0.766 27 30 [**********************-***+***] 1 1685 1 61 VAL QG 1 68 VAL H 3.300 2.600 4.000 2.042 1.761 2.318 0.839 7 20 "[ * *.*+ 1* *** **** *****-* *]" 1 1686 1 61 VAL QG 1 117 MET ME 2.900 2.300 3.500 1.847 1.644 2.103 0.656 1 11 "[+ . **1 * *.* 2* *.-* *]" 1 1687 1 61 VAL QG 1 67 THR MG 4.700 3.800 5.600 3.796 3.445 4.267 0.355 30 0 "[ . 1 . 2 . 3]" 1 1688 1 61 VAL QG 1 69 PHE HA 5.200 4.200 6.200 3.232 3.087 3.525 1.113 3 30 [**+***********-***************] 1 1689 1 61 VAL QG 1 70 VAL HA 3.300 2.600 4.000 4.161 3.971 4.316 0.316 17 0 "[ . 1 . 2 . 3]" 1 1690 1 62 PRO HA 1 63 VAL H . 3.000 3.200 2.205 2.134 2.282 0.866 16 30 [***-***********+**************] 1 1691 1 62 PRO HA 1 63 VAL HA 4.800 3.800 5.800 4.436 4.399 4.469 . 0 0 "[ . 1 . 2 . 3]" 1 1692 1 62 PRO HA 1 63 VAL HB 4.600 3.800 5.500 4.509 4.414 4.636 . 0 0 "[ . 1 . 2 . 3]" 1 1693 1 62 PRO HA 1 63 VAL QG 5.500 4.600 6.600 3.522 3.439 3.751 1.161 8 30 [*******+*******-**************] 1 1694 1 62 PRO HA 1 66 ARG H 4.200 3.400 5.000 6.028 6.002 6.044 1.044 1 30 [+**********************-******] 1 1695 1 62 PRO HA 1 67 THR H 3.900 3.100 4.700 5.330 4.769 5.673 0.973 9 22 "[*** ****+** **.******* * -*3]" 1 1696 1 62 PRO HA 1 67 THR MG 5.300 4.200 6.400 2.676 2.152 3.120 2.048 24 30 [********-**************+******] 1 1697 1 62 PRO HA 1 68 VAL H 4.700 3.800 5.600 3.771 3.256 4.059 0.544 4 1 "[ +. 1 . 2 . 3]" 1 1698 1 62 PRO QB 1 63 VAL H 3.100 2.500 3.700 3.048 2.792 3.461 . 0 0 "[ . 1 . 2 . 3]" 1 1699 1 62 PRO QB 1 63 VAL H 3.100 2.500 3.700 3.041 2.790 3.419 . 0 0 "[ . 1 . 2 . 3]" 1 1700 1 62 PRO QB 1 63 VAL HA 3.900 3.100 4.700 2.429 2.262 2.642 0.838 1 27 "[+ *******************-**.* ***]" 1 1701 1 62 PRO QB 1 67 THR MG 4.500 3.600 5.400 3.741 3.414 4.085 0.186 24 0 "[ . 1 . 2 . 3]" 1 1702 1 63 VAL H 1 63 VAL HA 3.200 2.600 3.800 2.929 2.919 2.948 . 0 0 "[ . 1 . 2 . 3]" 1 1703 1 63 VAL H 1 63 VAL HB 3.000 2.400 3.600 2.793 2.579 2.839 . 0 0 "[ . 1 . 2 . 3]" 1 1704 1 63 VAL H 1 63 VAL HB 3.800 3.000 4.600 2.773 2.567 2.813 0.433 16 0 "[ . 1 . 2 . 3]" 1 1705 1 63 VAL H 1 63 VAL QG 4.000 3.200 4.800 2.889 2.722 2.988 0.478 16 0 "[ . 1 . 2 . 3]" 1 1706 1 63 VAL H 1 63 VAL QG 4.100 3.300 4.900 2.799 2.662 2.865 0.638 16 13 "[ * ***** *+* 2* *. - *3]" 1 1707 1 63 VAL H 1 63 VAL QG 3.200 2.600 3.800 2.047 1.810 2.410 0.790 30 19 "[-* *.*** * ***** **2 * *. * *+]" 1 1708 1 63 VAL H 1 64 ALA H 3.600 2.900 4.300 3.731 3.606 4.023 . 0 0 "[ . 1 . 2 . 3]" 1 1709 1 63 VAL H 1 64 ALA MB 4.700 3.800 5.600 4.792 4.737 4.895 . 0 0 "[ . 1 . 2 . 3]" 1 1710 1 63 VAL H 1 66 ARG HA 4.000 3.200 4.800 4.983 4.804 5.096 0.296 6 0 "[ . 1 . 2 . 3]" 1 1711 1 63 VAL H 1 67 THR HA . 3.200 3.700 2.780 2.366 2.962 0.834 24 7 "[ *. 1 *** 2 *+.- 3]" 1 1712 1 63 VAL H 1 67 THR HA 3.800 3.000 4.600 2.612 2.305 2.739 0.695 24 4 "[ -. 1 ** 2 +. 3]" 1 1713 1 63 VAL H 1 67 THR MG 4.400 3.500 5.300 4.102 3.729 4.427 . 0 0 "[ . 1 . 2 . 3]" 1 1714 1 63 VAL H 1 68 VAL H 3.700 3.000 4.400 4.123 3.527 4.432 0.032 19 0 "[ . 1 . 2 . 3]" 1 1715 1 63 VAL HA 1 63 VAL HB 3.800 3.000 4.600 3.024 3.021 3.026 . 0 0 "[ . 1 . 2 . 3]" 1 1716 1 63 VAL HA 1 63 VAL HB 3.700 3.000 4.400 3.016 3.013 3.019 . 0 0 "[ . 1 . 2 . 3]" 1 1717 1 63 VAL HA 1 63 VAL QG 3.300 2.600 4.000 2.116 2.081 2.131 0.519 26 1 "[ . 1 . 2 .+ 3]" 1 1718 1 63 VAL HA 1 63 VAL QG 3.000 2.400 3.600 1.911 1.878 1.955 0.522 16 16 "[- * * *** * *.+ 2* **.** **]" 1 1719 1 63 VAL HA 1 63 VAL QG 3.700 3.000 4.400 2.094 2.063 2.122 0.937 26 30 [*************************+-***] 1 1720 1 63 VAL HA 1 64 ALA H 3.200 2.600 3.800 2.002 1.977 2.018 0.623 23 30 [********-*************+*******] 1 1721 1 63 VAL HB 1 64 ALA H 4.500 3.600 5.400 4.472 4.430 4.500 . 0 0 "[ . 1 . 2 . 3]" 1 1722 1 63 VAL HB 1 64 ALA MB 5.100 4.100 6.100 4.325 4.215 4.390 . 0 0 "[ . 1 . 2 . 3]" 1 1723 1 63 VAL HB 1 65 GLU H 4.000 3.200 4.800 4.689 4.519 4.838 0.038 6 0 "[ . 1 . 2 . 3]" 1 1724 1 63 VAL HB 1 66 ARG H 2.800 2.200 3.400 2.670 2.554 2.777 . 0 0 "[ . 1 . 2 . 3]" 1 1725 1 63 VAL HB 1 66 ARG QD 4.700 3.800 5.600 4.853 3.440 6.022 0.422 22 0 "[ . 1 . 2 . 3]" 1 1726 1 63 VAL HB 1 67 THR HA 5.100 4.100 6.100 3.517 3.403 3.619 0.697 17 29 "[******** *******+***********-*]" 1 1727 1 63 VAL HB 1 68 VAL HB 4.300 3.400 5.200 5.298 4.258 6.018 0.818 17 13 "[ * .** 1* * * +*** * * - 3]" 1 1728 1 63 VAL QG 1 64 ALA H 4.100 3.800 4.600 3.271 3.083 3.355 0.717 23 19 "[* -*.* 1 ****** * *+***** *]" 1 1729 1 63 VAL QG 1 64 ALA HA 4.800 3.800 5.800 4.397 4.224 4.514 . 0 0 "[ . 1 . 2 . 3]" 1 1730 1 63 VAL QG 1 64 ALA MB 3.700 3.400 4.400 2.703 2.585 2.816 0.815 23 30 [**********************+*****-*] 1 1731 1 63 VAL QG 1 65 GLU H 5.400 4.300 6.500 3.761 3.674 3.855 0.626 12 23 "[****.- ***+**.***** * ***** *]" 1 1732 1 63 VAL QG 1 66 ARG QD 5.000 4.000 6.000 4.198 2.367 5.561 1.633 7 6 "[* .*+* * . - . 3]" 1 1733 1 63 VAL QG 1 67 THR HA 4.300 3.400 5.200 2.959 2.878 3.113 0.522 5 6 "[ + 1 * - 2 * . * *3]" 1 1734 1 63 VAL QG 1 68 VAL HB 3.600 3.500 4.300 3.377 2.476 4.168 1.024 16 14 "[* * * **- * *.+ 2* **.* *]" 1 1735 1 63 VAL QG 1 117 MET H 3.500 2.800 4.200 3.328 2.659 3.733 0.141 3 0 "[ . 1 . 2 . 3]" 1 1736 1 63 VAL QG 1 89 LEU H 4.600 3.700 5.500 4.412 4.243 4.612 . 0 0 "[ . 1 . 2 . 3]" 1 1737 1 63 VAL QG 1 95 SER H 5.200 4.200 6.200 5.255 5.205 5.327 . 0 0 "[ . 1 . 2 . 3]" 1 1738 1 63 VAL QG 1 117 MET H 4.800 3.800 5.800 4.844 4.000 5.308 . 0 0 "[ . 1 . 2 . 3]" 1 1739 1 63 VAL QG 1 117 MET HA 4.500 3.600 5.400 2.723 1.876 3.223 1.724 23 27 "[****** ***********-** +**** **]" 1 1740 1 63 VAL QG 1 117 MET ME 4.400 3.500 5.300 3.568 2.737 4.215 0.763 24 4 "[ * . * 1 - . 2 +. 3]" 1 1741 1 63 VAL QG 1 118 VAL H 4.800 3.800 5.800 4.330 3.593 4.898 0.207 23 0 "[ . 1 . 2 . 3]" 1 1742 1 63 VAL QG 1 118 VAL H 3.700 3.000 4.400 3.901 3.469 4.266 . 0 0 "[ . 1 . 2 . 3]" 1 1743 1 64 ALA H 1 64 ALA HA 3.000 2.400 3.600 2.271 2.268 2.273 0.132 3 0 "[ . 1 . 2 . 3]" 1 1744 1 64 ALA H 1 64 ALA MB 3.400 3.400 4.100 2.864 2.834 2.887 0.566 7 30 [******+**********************-] 1 1745 1 64 ALA H 1 65 GLU H 4.000 3.200 4.800 4.138 4.086 4.199 . 0 0 "[ . 1 . 2 . 3]" 1 1746 1 64 ALA HA 1 65 GLU H 3.700 3.000 4.100 3.517 3.502 3.528 . 0 0 "[ . 1 . 2 . 3]" 1 1747 1 64 ALA HA 1 66 ARG H 3.200 2.600 3.800 2.800 2.777 2.829 . 0 0 "[ . 1 . 2 . 3]" 1 1748 1 64 ALA MB 1 65 GLU H 3.400 2.700 4.100 1.774 1.669 1.848 1.031 7 30 [******+************-**********] 1 1749 1 64 ALA MB 1 65 GLU H 3.000 2.400 3.600 1.748 1.654 1.814 0.746 7 30 [******+************-**********] 1 1750 1 64 ALA MB 1 65 GLU QG 3.400 2.700 4.100 3.066 2.498 4.157 0.202 22 0 "[ . 1 . 2 . 3]" 1 1751 1 64 ALA MB 1 66 ARG QD 4.800 3.800 5.800 4.986 2.739 6.035 1.061 7 1 "[ . + 1 . 2 . 3]" 1 1752 1 65 GLU H 1 65 GLU HA 3.300 2.600 3.800 2.947 2.943 2.950 . 0 0 "[ . 1 . 2 . 3]" 1 1753 1 65 GLU H 1 65 GLU QB 3.100 2.500 3.700 2.632 2.465 3.103 0.035 29 0 "[ . 1 . 2 . 3]" 1 1754 1 65 GLU H 1 65 GLU QG 3.400 2.700 4.100 3.100 2.064 4.156 0.636 19 6 "[- .* *1 * . +2* . 3]" 1 1755 1 65 GLU H 1 66 ARG HA 4.500 3.600 5.400 4.605 4.507 4.682 . 0 0 "[ . 1 . 2 . 3]" 1 1756 1 65 GLU HA 1 66 ARG H 3.000 2.400 3.600 3.269 3.220 3.325 . 0 0 "[ . 1 . 2 . 3]" 1 1757 1 65 GLU HA 1 77 ILE H 3.500 2.800 4.200 4.951 4.880 5.024 0.824 25 30 [*******-****************+*****] 1 1758 1 65 GLU HA 1 169 VAL H 4.700 3.800 5.600 5.473 5.375 5.516 . 0 0 "[ . 1 . 2 . 3]" 1 1759 1 65 GLU QB 1 66 ARG H 2.900 2.300 3.500 2.162 2.118 2.243 0.182 26 0 "[ . 1 . 2 . 3]" 1 1760 1 65 GLU QG 1 66 ARG H 3.400 2.700 4.100 3.876 2.519 4.697 0.597 29 2 "[ - . 1 . 2 . +3]" 1 1761 1 66 ARG H 1 66 ARG HA 3.200 2.600 3.800 2.935 2.919 2.945 . 0 0 "[ . 1 . 2 . 3]" 1 1762 1 66 ARG H 1 66 ARG QD 3.900 3.100 4.700 3.802 1.865 4.764 1.235 7 4 "[ . + 1- * 2 *. 3]" 1 1763 1 66 ARG H 1 67 THR H 3.400 2.700 4.100 4.539 4.508 4.563 0.463 16 0 "[ . 1 . 2 . 3]" 1 1764 1 66 ARG H 1 67 THR H 3.500 2.800 4.200 3.732 3.619 3.888 . 0 0 "[ . 1 . 2 . 3]" 1 1765 1 66 ARG HA 1 67 THR H 2.600 2.100 3.100 2.385 2.214 2.443 . 0 0 "[ . 1 . 2 . 3]" 1 1766 1 66 ARG HA 1 67 THR HB 4.500 3.600 5.400 4.665 4.549 4.839 . 0 0 "[ . 1 . 2 . 3]" 1 1767 1 66 ARG QD 1 67 THR H 3.900 3.100 4.700 4.435 3.409 5.135 0.435 9 0 "[ . 1 . 2 . 3]" 1 1768 1 67 THR H 1 67 THR HB . 3.000 3.400 2.678 2.578 2.823 0.422 30 0 "[ . 1 . 2 . 3]" 1 1769 1 67 THR H 1 67 THR MG 3.700 3.000 4.400 3.874 3.831 3.935 . 0 0 "[ . 1 . 2 . 3]" 1 1770 1 67 THR H 1 67 THR MG 4.500 3.600 5.400 3.678 3.625 3.739 . 0 0 "[ . 1 . 2 . 3]" 1 1771 1 67 THR H 1 68 VAL H 4.000 3.200 4.800 4.356 4.189 4.501 . 0 0 "[ . 1 . 2 . 3]" 1 1772 1 67 THR H 1 68 VAL H 3.400 2.700 4.100 3.937 3.862 3.993 . 0 0 "[ . 1 . 2 . 3]" 1 1773 1 67 THR H 1 68 VAL HA 4.200 3.400 5.000 4.916 4.737 5.099 0.099 4 0 "[ . 1 . 2 . 3]" 1 1774 1 67 THR HA 1 67 THR MG 4.300 3.400 5.200 2.367 2.319 2.412 1.081 16 30 [***************+*-************] 1 1775 1 67 THR HA 1 68 VAL H 2.700 2.200 3.200 2.161 2.128 2.219 0.072 15 0 "[ . 1 . 2 . 3]" 1 1776 1 67 THR HA 1 68 VAL HB 4.300 3.400 5.200 5.157 4.585 5.714 0.514 17 4 "[ . * 1 * + 2 - . 3]" 1 1777 1 67 THR HB 1 68 VAL H 3.700 3.000 4.400 4.111 3.885 4.306 . 0 0 "[ . 1 . 2 . 3]" 1 1778 1 67 THR MG 1 68 VAL H . 3.400 4.200 2.607 2.268 3.005 1.132 25 26 "[******-****** .* ****** +*****]" 1 1779 1 67 THR MG 1 68 VAL HA 5.700 4.600 6.800 3.750 3.475 4.137 1.125 6 29 "[*****+**********-****** ******]" 1 1780 1 67 THR MG 1 69 PHE H 4.500 3.600 5.400 4.586 4.401 4.865 . 0 0 "[ . 1 . 2 . 3]" 1 1781 1 67 THR MG 1 69 PHE HA 6.000 4.800 7.200 4.230 4.028 4.378 0.772 30 21 "[* *** ** 1 * ****- 2****.****+]" 1 1782 1 67 THR MG 1 69 PHE QE 5.200 4.200 6.200 2.793 2.254 3.296 1.946 6 30 [*****+****************-*******] 1 1783 1 68 VAL H 1 68 VAL HB 2.900 2.300 3.500 3.168 2.559 3.807 0.307 28 0 "[ . 1 . 2 . 3]" 1 1784 1 68 VAL H 1 69 PHE H 3.800 3.000 4.600 4.499 4.407 4.598 . 0 0 "[ . 1 . 2 . 3]" 1 1785 1 68 VAL HA 1 69 PHE H . 3.000 3.000 2.259 2.225 2.277 0.775 7 30 [******+*******************-***] 1 1786 1 68 VAL HA 1 69 PHE HA 5.100 4.100 6.100 4.378 4.369 4.388 . 0 0 "[ . 1 . 2 . 3]" 1 1787 1 68 VAL HB 1 69 PHE H 3.200 2.600 3.800 3.343 2.772 3.902 0.102 8 0 "[ . 1 . 2 . 3]" 1 1788 1 68 VAL HB 1 116 ALA MB 3.700 3.200 4.400 3.956 3.072 4.547 0.147 26 0 "[ . 1 . 2 . 3]" 1 1789 1 68 VAL QG 1 69 PHE H 3.200 2.600 3.800 2.708 2.075 3.386 0.525 26 1 "[ . 1 . 2 .+ 3]" 1 1790 1 68 VAL QG 1 69 PHE QB 5.900 4.700 7.100 4.309 3.825 4.830 0.875 8 16 "[* * * +** * *.* 2* **.*- **]" 1 1791 1 68 VAL QG 1 70 VAL HA 4.100 3.300 4.900 4.102 3.572 4.766 . 0 0 "[ . 1 . 2 . 3]" 1 1792 1 68 VAL QG 1 73 TYR QD 4.800 3.800 5.800 3.697 2.564 4.777 1.236 1 15 "[+ * * *** * *. 2* **.** *-]" 1 1793 1 68 VAL QG 1 73 TYR QE 4.300 3.400 5.200 2.557 1.857 3.570 1.543 12 16 "[* * * *** + *.* 2* **.-* **]" 1 1794 1 68 VAL QG 1 113 PHE QE 4.100 3.300 4.900 3.960 3.305 4.704 . 0 0 "[ . 1 . 2 . 3]" 1 1795 1 68 VAL QG 1 113 PHE QE 3.900 3.100 4.700 4.371 3.518 4.922 0.222 11 0 "[ . 1 . 2 . 3]" 1 1796 1 69 PHE H 1 73 TYR QD 5.700 4.600 6.800 3.528 2.977 4.303 1.623 1 25 "[+-* * ********** * 2**********]" 1 1797 1 69 PHE H 1 73 TYR QE 5.200 4.200 6.200 2.790 2.317 3.225 1.883 5 30 [****+**************-**********] 1 1798 1 69 PHE HA 1 69 PHE QD 4.400 3.800 5.300 2.460 2.316 2.640 1.484 6 30 [*-***+************************] 1 1799 1 69 PHE HA 1 69 PHE QE 5.300 4.600 6.400 4.600 4.517 4.654 0.083 14 0 "[ . 1 . 2 . 3]" 1 1800 1 69 PHE HA 1 70 VAL H 4.500 3.600 5.400 2.137 2.116 2.162 1.484 6 30 [*****+**********-*************] 1 1801 1 69 PHE HA 1 70 VAL QG 5.200 4.200 6.200 3.811 3.308 4.362 0.892 16 16 "[****. * * **+** 2 * *-* *]" 1 1802 1 69 PHE QB 1 70 VAL H 4.200 3.500 5.000 3.403 3.265 3.474 0.235 7 0 "[ . 1 . 2 . 3]" 1 1803 1 69 PHE QB 1 70 VAL QG 6.400 5.100 7.700 4.433 4.031 4.595 1.069 16 30 [***************+**********-***] 1 1804 1 69 PHE QB 1 72 ARG H 3.800 3.000 4.200 2.854 2.710 3.040 0.290 7 0 "[ . 1 . 2 . 3]" 1 1805 1 69 PHE QB 1 73 TYR H 3.300 2.600 4.000 4.137 3.743 4.652 0.652 28 2 "[ . 1 . - . + 3]" 1 1806 1 69 PHE QD 1 70 VAL H 4.100 3.300 4.900 4.313 4.158 4.451 . 0 0 "[ . 1 . 2 . 3]" 1 1807 1 69 PHE QE 1 70 VAL H 4.600 3.700 5.500 5.145 4.859 5.387 . 0 0 "[ . 1 . 2 . 3]" 1 1808 1 69 PHE QE 1 194 VAL QG 4.800 3.800 5.800 2.710 1.936 3.244 1.864 16 30 [***********-***+**************] 1 1809 1 70 VAL H 1 70 VAL HB . 3.500 4.200 2.505 2.118 3.572 1.382 27 29 "[***-*********** **********+***]" 1 1810 1 70 VAL H 1 70 VAL QG 3.900 3.100 4.600 2.257 1.903 2.885 1.197 16 26 "[******* **** **+**-*** *** ***]" 1 1811 1 70 VAL HA 1 70 VAL QG 3.800 3.000 4.600 2.124 2.074 2.438 0.926 18 30 [***************-*+************] 1 1812 1 70 VAL HA 1 70 VAL QG 3.200 2.600 3.800 2.123 2.073 2.436 0.527 18 15 "[**-*. * * ** *+ 2 * ** * *]" 1 1813 1 70 VAL HA 1 73 TYR H 3.200 2.600 3.800 2.762 2.695 2.797 . 0 0 "[ . 1 . 2 . 3]" 1 1814 1 70 VAL HA 1 73 TYR QD 4.600 3.700 5.500 2.543 2.311 2.848 1.389 20 30 [*******************+-*********] 1 1815 1 70 VAL HA 1 73 TYR QE 5.000 4.000 6.000 4.013 3.275 4.350 0.725 20 3 "[ *. 1 . - + . 3]" 1 1816 1 70 VAL HA 1 73 TYR QD 4.300 3.400 5.200 2.986 2.472 3.540 0.928 4 14 "[ * +.** * -* .***** * * 3]" 1 1817 1 70 VAL HA 1 74 ILE H 4.000 3.200 4.800 3.276 2.421 3.636 0.779 26 3 "[ . *1 .- 2 .+ 3]" 1 1818 1 70 VAL HA 1 113 PHE QE 4.500 3.600 5.400 3.478 2.434 3.939 1.166 26 5 "[ . *1 * .* 2 -.+ 3]" 1 1819 1 70 VAL HB 1 72 ARG H 3.800 3.000 4.600 5.171 4.703 5.730 1.130 13 15 "[ *****1* + .* *** * . -**3]" 1 1820 1 70 VAL QG 1 72 ARG H 4.000 3.200 4.800 4.193 4.016 4.387 . 0 0 "[ . 1 . 2 . 3]" 1 1821 1 70 VAL QG 1 73 TYR H 2.800 2.500 3.400 4.419 4.161 4.680 1.280 16 30 [***********-***+**************] 1 1822 1 70 VAL QG 1 73 TYR QB 3.700 3.000 4.400 4.102 3.417 5.016 0.616 16 1 "[ . 1 .+ 2 . 3]" 1 1823 1 70 VAL QG 1 73 TYR QD 5.300 4.200 6.400 4.074 3.393 4.579 0.807 20 5 "[ *.* 1 . - *+ . 3]" 1 1824 1 70 VAL QG 1 74 ILE H 3.200 2.600 3.800 3.444 3.105 3.592 . 0 0 "[ . 1 . 2 . 3]" 1 1825 1 70 VAL QG 1 74 ILE HA 4.200 3.400 5.000 2.347 2.294 2.379 1.106 4 30 [***+**********************-***] 1 1826 1 70 VAL QG 1 74 ILE MD 3.700 3.400 4.400 4.796 4.443 5.192 0.792 16 9 "[ *. 1 **+- 2 * *.* *]" 1 1827 1 70 VAL QG 1 113 PHE QE 3.600 2.900 4.300 2.377 1.876 2.608 1.024 13 14 "[ * .** *1 + .* -* ***.* **3]" 1 1828 1 70 VAL QG 1 113 PHE QE 3.700 3.300 4.400 2.620 1.880 3.062 1.420 13 23 "[ **.**-****+*. **** ********]" 1 1829 1 70 VAL QG 1 117 MET ME 3.500 2.800 4.200 2.564 1.873 3.489 0.927 30 6 "[ * . 1 **. 2 *- . +]" 1 1830 1 72 ARG H 1 72 ARG HA 3.200 2.600 3.800 2.851 2.821 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 1831 1 72 ARG H 1 72 ARG QG 3.500 2.800 4.200 3.911 2.294 3.987 0.506 28 1 "[ . 1 . 2 . + 3]" 1 1832 1 72 ARG H 1 73 TYR H 3.400 2.700 3.600 2.703 2.582 2.794 0.118 10 0 "[ . 1 . 2 . 3]" 1 1833 1 72 ARG H 1 73 TYR QD 4.300 3.400 5.200 4.239 3.707 4.632 . 0 0 "[ . 1 . 2 . 3]" 1 1834 1 72 ARG H 1 74 ILE H 4.300 3.400 5.200 3.823 3.660 4.061 . 0 0 "[ . 1 . 2 . 3]" 1 1835 1 72 ARG H 1 75 ASP H 3.700 3.000 4.400 4.440 4.342 4.561 0.161 28 0 "[ . 1 . 2 . 3]" 1 1836 1 72 ARG H 1 179 LEU H 4.400 3.500 5.300 4.614 4.330 4.907 . 0 0 "[ . 1 . 2 . 3]" 1 1837 1 72 ARG H 1 185 VAL H 4.500 3.600 5.400 5.706 5.187 6.039 0.639 22 15 "[* - . * ** *** * *2*+* . **3]" 1 1838 1 72 ARG HA 1 73 TYR H 3.000 2.400 3.600 3.573 3.545 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 1839 1 72 ARG HA 1 73 TYR QB 5.200 4.200 6.200 2.403 2.091 2.643 2.109 6 30 [*****+*****-******************] 1 1840 1 72 ARG HA 1 74 ILE H 4.000 3.200 4.800 4.523 4.344 4.816 0.016 12 0 "[ . 1 . 2 . 3]" 1 1841 1 72 ARG HA 1 75 ASP H 4.000 3.200 4.800 3.706 3.529 3.962 . 0 0 "[ . 1 . 2 . 3]" 1 1842 1 72 ARG HA 1 75 ASP QB 4.700 3.800 5.600 2.746 2.528 2.993 1.272 23 30 [**********************+****-**] 1 1843 1 72 ARG HA 1 76 TRP H 3.400 2.700 4.100 4.533 4.453 4.635 0.535 26 4 "[ *. 1 * 2 .+ -]" 1 1844 1 72 ARG QG 1 73 TYR H 2.600 2.100 3.100 3.215 3.006 3.713 0.613 28 1 "[ . 1 . 2 . + 3]" 1 1845 1 72 ARG QG 1 73 TYR QD 4.600 3.700 5.500 3.987 3.441 4.816 0.259 6 0 "[ . 1 . 2 . 3]" 1 1846 1 72 ARG QG 1 76 TRP HE1 4.000 3.200 4.800 3.685 2.995 5.619 0.819 28 1 "[ . 1 . 2 . + 3]" 1 1847 1 73 TYR H 1 73 TYR QB 3.000 2.400 3.600 2.495 2.202 2.740 0.198 1 0 "[ . 1 . 2 . 3]" 1 1848 1 73 TYR H 1 73 TYR QD 4.800 3.800 5.800 2.498 1.991 2.832 1.809 16 30 [***************+**-***********] 1 1849 1 73 TYR H 1 73 TYR QD 2.800 2.200 3.400 2.491 1.989 2.820 0.211 16 0 "[ . 1 . 2 . 3]" 1 1850 1 73 TYR H 1 74 ILE H 3.700 3.000 4.400 2.569 2.502 2.722 0.498 7 0 "[ . 1 . 2 . 3]" 1 1851 1 73 TYR H 1 74 ILE H 3.000 2.400 3.600 2.560 2.495 2.711 . 0 0 "[ . 1 . 2 . 3]" 1 1852 1 73 TYR H 1 75 ASP H . 3.600 3.600 4.089 3.947 4.283 0.683 28 12 "[ * * - 1 * *. ***** . +*3]" 1 1853 1 73 TYR H 1 76 TRP H 3.500 2.800 4.200 4.833 4.653 4.943 0.743 19 29 "[*************** **+*********-*]" 1 1854 1 73 TYR HA 1 75 ASP H 3.300 2.600 4.000 2.766 2.738 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 1855 1 73 TYR QB 1 73 TYR QE 5.200 4.200 6.200 3.938 3.933 3.944 0.267 14 0 "[ . 1 . 2 . 3]" 1 1856 1 73 TYR QB 1 74 ILE H 3.200 2.600 3.800 2.479 2.326 2.547 0.274 12 0 "[ . 1 . 2 . 3]" 1 1857 1 73 TYR QB 1 74 ILE H 3.700 3.000 4.400 2.711 2.478 2.821 0.522 12 3 "[ . 1 +- . * 2 . 3]" 1 1858 1 73 TYR QB 1 74 ILE H 4.800 3.800 5.800 2.576 2.363 2.663 1.437 18 30 [**-**************+************] 1 1859 1 73 TYR QB 1 74 ILE QG 3.900 3.200 4.700 2.347 2.293 2.380 0.907 4 30 [***+**********************-***] 1 1860 1 73 TYR QB 1 77 ILE H 3.000 2.400 3.600 3.097 2.987 3.178 . 0 0 "[ . 1 . 2 . 3]" 1 1861 1 73 TYR QB 1 77 ILE MD 3.800 3.000 4.600 1.931 1.783 2.222 1.217 19 30 [******************+-**********] 1 1862 1 73 TYR QB 1 74 ILE MD 4.000 3.200 4.800 5.400 5.255 5.517 0.717 2 28 "[*+********** **-********** ***]" 1 1863 1 73 TYR QB 1 74 ILE QG 4.000 3.200 4.800 4.871 4.711 4.989 0.189 5 0 "[ . 1 . 2 . 3]" 1 1864 1 73 TYR QB 1 77 ILE QG 2.100 . 2.500 3.864 3.760 3.958 1.458 6 30 [**-**+************************] 1 1865 1 73 TYR QB 1 113 PHE H 3.800 3.100 4.600 3.887 3.401 4.472 . 0 0 "[ . 1 . 2 . 3]" 1 1866 1 73 TYR QB 1 113 PHE QD 4.300 3.400 5.200 2.506 2.067 2.765 1.333 23 30 [*****-****************+*******] 1 1867 1 73 TYR QB 1 113 PHE QD 4.700 3.800 5.600 2.401 2.004 2.641 1.796 23 30 [***************-******+*******] 1 1868 1 73 TYR QB 1 113 PHE QE 4.200 3.700 5.000 3.151 2.894 3.591 0.806 18 22 "[** ***** ***- . *+** ******* 3]" 1 1869 1 73 TYR QD 1 74 ILE H 3.900 3.100 4.700 3.737 3.425 4.106 . 0 0 "[ . 1 . 2 . 3]" 1 1870 1 73 TYR QD 1 87 LEU H 3.700 3.000 4.400 5.384 5.197 5.768 1.368 6 30 [*****+-***********************] 1 1871 1 73 TYR QD 1 117 MET H 3.900 3.100 4.700 4.578 4.427 5.000 0.300 13 0 "[ . 1 . 2 . 3]" 1 1872 1 73 TYR QD 1 142 VAL H 4.100 3.300 4.900 5.306 5.109 5.661 0.761 14 4 "[ . 1 * +. 2 . - *]" 1 1873 1 73 TYR QD 1 113 PHE H 3.600 2.900 4.300 3.519 3.194 3.905 . 0 0 "[ . 1 . 2 . 3]" 1 1874 1 73 TYR QD 1 113 PHE HA 5.400 4.300 6.500 2.942 2.723 3.118 1.577 13 30 [************+****-************] 1 1875 1 73 TYR QD 1 113 PHE HA 3.900 3.100 4.700 2.567 2.010 2.771 1.090 9 15 "[* *.*- +* * .* *** *.* **3]" 1 1876 1 73 TYR QD 1 113 PHE QB 5.300 4.200 6.400 3.908 3.275 4.381 0.925 13 7 "[* . *- *+ . 2 * . * 3]" 1 1877 1 73 TYR QD 1 116 ALA MB 4.200 3.400 5.000 3.984 3.767 4.166 . 0 0 "[ . 1 . 2 . 3]" 1 1878 1 73 TYR QD 1 116 ALA MB 5.800 4.600 7.000 4.217 3.910 4.463 0.690 20 8 "[ -**.* 1 . * *+ * . 3]" 1 1879 1 73 TYR QE 1 113 PHE HA 5.300 4.500 6.400 3.778 3.337 4.242 1.163 23 24 "[* *** -********* * 2* +*******]" 1 1880 1 73 TYR QE 1 113 PHE QD 5.000 4.000 6.000 4.916 4.031 5.567 . 0 0 "[ . 1 . 2 . 3]" 1 1881 1 73 TYR QE 1 116 ALA MB 5.000 4.000 6.000 2.825 2.434 3.150 1.566 4 30 [***+****-*********************] 1 1882 1 73 TYR QE 1 178 TRP HD1 5.200 4.500 6.200 2.941 2.142 4.303 2.358 9 27 "[***-****+******* * 2**********]" 1 1883 1 73 TYR QE 1 178 TRP HE1 3.800 3.000 4.600 2.763 2.038 3.787 0.962 16 11 "[ - . **1 **+ 2* .** **]" 1 1884 1 74 ILE H 1 74 ILE HB . 3.500 3.600 2.259 2.192 2.324 1.308 13 30 [****-*******+*****************] 1 1885 1 74 ILE H 1 74 ILE MD 3.300 3.100 4.000 4.286 4.249 4.324 0.324 4 0 "[ . 1 . 2 . 3]" 1 1886 1 74 ILE H 1 74 ILE QG 3.200 2.600 3.800 3.844 3.759 3.917 0.117 5 0 "[ . 1 . 2 . 3]" 1 1887 1 74 ILE H 1 74 ILE QG 4.000 3.200 4.800 2.808 2.271 3.463 0.929 16 13 "[ * .** 1- *+ ** * *.* **3]" 1 1888 1 74 ILE H 1 74 ILE MG 3.700 3.000 4.400 2.717 2.595 2.833 0.405 2 0 "[ . 1 . 2 . 3]" 1 1889 1 74 ILE H 1 74 ILE MG 3.600 2.900 4.300 2.683 2.569 2.783 0.331 2 0 "[ . 1 . 2 . 3]" 1 1890 1 74 ILE H 1 75 ASP H 3.500 2.900 4.200 2.585 2.454 2.738 0.446 23 0 "[ . 1 . 2 . 3]" 1 1891 1 74 ILE H 1 75 ASP QB 4.200 3.400 5.000 4.335 4.172 4.492 . 0 0 "[ . 1 . 2 . 3]" 1 1892 1 74 ILE H 1 76 TRP H 4.100 3.300 4.900 4.007 3.900 4.167 . 0 0 "[ . 1 . 2 . 3]" 1 1893 1 74 ILE H 1 77 ILE MD 4.200 3.400 5.000 2.898 2.461 3.261 0.939 20 13 "[** *.-* 1 . * *+ * *.* **3]" 1 1894 1 74 ILE HA 1 74 ILE MD 3.300 3.300 4.000 2.275 2.095 2.460 1.205 27 30 [*-************************+***] 1 1895 1 74 ILE HA 1 74 ILE MG 3.400 2.700 4.100 3.152 3.121 3.177 . 0 0 "[ . 1 . 2 . 3]" 1 1896 1 74 ILE HA 1 74 ILE MG 3.700 3.000 4.400 1.919 1.775 2.191 1.225 19 30 [******************+-**********] 1 1897 1 74 ILE HA 1 75 ASP H 3.600 2.900 4.300 3.534 3.509 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 1898 1 74 ILE HA 1 75 ASP H 4.700 3.800 5.600 3.417 3.395 3.451 0.405 13 0 "[ . 1 . 2 . 3]" 1 1899 1 74 ILE HA 1 76 TRP H 3.000 2.400 3.600 4.127 3.997 4.151 0.551 8 28 "[** ****+************** *-*****]" 1 1900 1 74 ILE HA 1 77 ILE H 4.800 3.800 5.800 3.129 3.015 3.213 0.785 3 30 [**+********-******************] 1 1901 1 74 ILE HA 1 77 ILE HB 3.800 3.000 4.600 2.768 2.601 3.007 0.399 22 0 "[ . 1 . 2 . 3]" 1 1902 1 74 ILE HA 1 77 ILE HB 3.900 3.100 4.700 2.412 2.226 2.593 0.874 14 30 [*************+**************-*] 1 1903 1 74 ILE HA 1 77 ILE QG 4.500 3.600 5.400 2.677 2.318 2.993 1.282 14 30 [*************+*************-**] 1 1904 1 74 ILE HB 1 74 ILE MD . 3.500 4.100 3.240 3.231 3.244 0.269 16 0 "[ . 1 . 2 . 3]" 1 1905 1 74 ILE HB 1 74 ILE QG 3.100 2.500 3.700 2.183 2.179 2.185 0.321 25 0 "[ . 1 . 2 . 3]" 1 1906 1 74 ILE HB 1 75 ASP H . 3.700 4.000 3.600 3.531 3.639 0.169 27 0 "[ . 1 . 2 . 3]" 1 1907 1 74 ILE MD 1 74 ILE MG 3.600 2.900 3.700 1.981 1.922 2.028 0.978 4 30 [***+**********************-***] 1 1908 1 74 ILE MD 1 75 ASP H 4.200 3.400 5.000 3.979 3.830 4.113 . 0 0 "[ . 1 . 2 . 3]" 1 1909 1 74 ILE MD 1 77 ILE MD 4.500 3.800 5.400 2.587 2.299 2.947 1.501 3 30 [**+****************-**********] 1 1910 1 74 ILE MD 1 87 LEU H 4.200 3.400 5.000 5.824 5.649 5.903 0.903 25 30 [-***********************+*****] 1 1911 1 74 ILE MD 1 103 THR H 4.700 3.800 5.600 4.957 4.818 5.078 . 0 0 "[ . 1 . 2 . 3]" 1 1912 1 74 ILE QG 1 74 ILE MG 3.900 3.100 4.700 2.090 1.939 2.187 1.161 3 30 [**+****************-**********] 1 1913 1 74 ILE QG 1 74 ILE MG 3.600 2.900 4.300 1.882 1.820 2.235 1.080 22 30 [********-************+********] 1 1914 1 74 ILE QG 1 75 ASP H 4.700 3.800 5.600 4.567 4.492 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 1915 1 74 ILE QG 1 77 ILE MD 3.800 3.000 4.600 2.482 2.110 2.839 0.890 3 17 "[**+*. * *1 *** ***2*- ** *]" 1 1916 1 74 ILE MG 1 75 ASP H 4.000 3.200 4.800 2.051 1.931 2.189 1.269 28 30 [************-**************+**] 1 1917 1 74 ILE MG 1 75 ASP H 3.800 3.000 4.600 2.048 1.929 2.185 1.071 28 30 [************-**************+**] 1 1918 1 75 ASP H 1 75 ASP QB 3.400 2.700 4.000 2.260 2.217 2.280 0.483 23 0 "[ . 1 . 2 . 3]" 1 1919 1 75 ASP H 1 76 TRP H 3.500 2.800 4.200 2.640 2.526 2.756 0.274 16 0 "[ . 1 . 2 . 3]" 1 1920 1 75 ASP H 1 76 TRP H 3.100 2.500 3.700 2.608 2.499 2.728 0.001 16 0 "[ . 1 . 2 . 3]" 1 1921 1 75 ASP H 1 76 TRP HD1 4.100 3.300 4.900 5.170 4.710 5.746 0.846 19 6 "[ - *. * 1 .* +2 . *]" 1 1922 1 75 ASP H 1 77 ILE H 3.200 2.600 3.800 2.566 2.372 2.769 0.228 16 0 "[ . 1 . 2 . 3]" 1 1923 1 75 ASP HA 1 79 THR H 3.400 2.900 4.100 4.295 3.977 4.491 0.391 25 0 "[ . 1 . 2 . 3]" 1 1924 1 75 ASP QB 1 76 TRP H 3.000 2.600 3.600 2.659 2.598 2.825 0.002 13 0 "[ . 1 . 2 . 3]" 1 1925 1 75 ASP QB 1 76 TRP HA 4.200 3.400 5.000 2.840 2.550 3.014 0.850 5 21 "[ * *+* *1***** * -2*** ******]" 1 1926 1 75 ASP QB 1 76 TRP HE1 4.200 3.400 5.000 3.670 3.333 4.003 0.067 13 0 "[ . 1 . 2 . 3]" 1 1927 1 75 ASP QB 1 77 ILE H 3.500 2.800 4.200 4.706 4.595 4.987 0.787 23 14 "[* *** -** . * *+ * ***3]" 1 1928 1 75 ASP QB 1 78 LEU H 4.400 3.500 5.300 4.984 4.812 5.228 . 0 0 "[ . 1 . 2 . 3]" 1 1929 1 76 TRP H 1 76 TRP HD1 3.100 2.500 3.700 3.094 2.738 3.493 . 0 0 "[ . 1 . 2 . 3]" 1 1930 1 76 TRP H 1 77 ILE H 3.600 3.000 4.300 2.575 2.520 2.642 0.480 17 0 "[ . 1 . 2 . 3]" 1 1931 1 76 TRP H 1 77 ILE HB 3.600 2.900 4.300 3.839 3.727 3.928 . 0 0 "[ . 1 . 2 . 3]" 1 1932 1 76 TRP H 1 77 ILE QG 3.500 2.800 4.200 4.037 3.859 4.195 . 0 0 "[ . 1 . 2 . 3]" 1 1933 1 76 TRP HA 1 76 TRP HD1 4.100 3.300 4.900 2.179 2.035 2.340 1.265 30 30 [*****-***********************+] 1 1934 1 76 TRP HA 1 76 TRP HE1 3.900 3.100 4.700 4.667 4.568 4.762 0.062 13 0 "[ . 1 . 2 . 3]" 1 1935 1 76 TRP HA 1 78 LEU H 4.500 3.600 4.700 4.071 3.915 4.344 . 0 0 "[ . 1 . 2 . 3]" 1 1936 1 76 TRP HA 1 79 THR H 3.200 2.600 3.800 2.697 2.645 2.735 . 0 0 "[ . 1 . 2 . 3]" 1 1937 1 76 TRP HA 1 79 THR MG 4.200 3.400 5.000 2.336 2.293 2.368 1.107 14 30 [*******-*****+****************] 1 1938 1 76 TRP HA 1 80 THR H 3.200 2.600 3.800 2.467 2.356 2.539 0.244 9 0 "[ . 1 . 2 . 3]" 1 1939 1 76 TRP HA 1 80 THR MG 4.200 3.400 5.000 2.326 2.188 2.412 1.212 6 30 [*****+**************-*********] 1 1940 1 76 TRP HA 1 80 THR MG 4.900 3.900 5.900 5.115 2.826 5.559 1.074 6 1 "[ .+ 1 . 2 . 3]" 1 1941 1 76 TRP HD1 1 77 ILE H 3.600 2.900 4.300 4.993 4.819 5.163 0.863 7 30 [******+******************-****] 1 1942 1 76 TRP HE1 1 197 ILE MD 4.200 3.400 5.000 4.884 4.225 5.809 0.809 5 2 "[ - + 1 . 2 . 3]" 1 1943 1 76 TRP HH2 1 174 TYR HA 5.300 4.300 6.100 5.930 5.147 6.038 . 0 0 "[ . 1 . 2 . 3]" 1 1944 1 76 TRP HH2 1 197 ILE MD 4.000 4.000 4.800 2.468 2.168 2.793 1.832 19 30 [************-*****+***********] 1 1945 1 76 TRP HH2 1 197 ILE QG 4.400 3.500 5.300 3.867 3.580 4.108 . 0 0 "[ . 1 . 2 . 3]" 1 1946 1 76 TRP HZ2 1 174 TYR QD 5.600 4.500 6.700 4.198 3.564 4.954 0.936 13 8 "[ *. * 1 + *** -2* . 3]" 1 1947 1 76 TRP HZ2 1 197 ILE MD 4.200 3.900 5.000 2.589 1.898 3.497 2.002 4 29 [**-+.*************************] 1 1948 1 77 ILE H 1 77 ILE HA 3.200 2.600 3.800 2.824 2.767 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 1949 1 77 ILE H 1 77 ILE HB 3.700 3.000 4.400 2.522 2.429 2.588 0.571 26 9 "[ *- * 1 . * *2 * *.+ * 3]" 1 1950 1 77 ILE H 1 77 ILE HB 2.600 2.100 3.100 2.013 1.919 2.101 0.181 6 0 "[ . 1 . 2 . 3]" 1 1951 1 77 ILE H 1 77 ILE MD 4.100 3.300 4.900 3.523 3.404 3.604 . 0 0 "[ . 1 . 2 . 3]" 1 1952 1 77 ILE H 1 77 ILE MD 3.300 2.600 4.000 3.379 3.205 3.451 . 0 0 "[ . 1 . 2 . 3]" 1 1953 1 77 ILE H 1 77 ILE QG 4.100 3.300 4.700 2.122 1.979 2.299 1.321 6 30 [*****+*******************-****] 1 1954 1 77 ILE H 1 77 ILE MG 3.800 3.000 4.100 3.767 3.747 3.779 . 0 0 "[ . 1 . 2 . 3]" 1 1955 1 77 ILE H 1 78 LEU QB 3.500 2.800 4.200 4.827 4.581 5.153 0.953 2 25 "[*+********* **. *-******* ** *]" 1 1956 1 77 ILE HA 1 77 ILE QG 4.000 3.200 4.800 2.417 2.338 2.471 0.862 2 30 [*+*****-**********************] 1 1957 1 77 ILE HA 1 80 THR MG 5.000 4.000 6.000 3.168 3.004 3.456 0.996 10 30 [**-******+********************] 1 1958 1 77 ILE HB 1 78 LEU H 4.100 3.300 4.900 2.857 2.675 2.942 0.625 19 6 "[ ** . 1 -*. * +2 . 3]" 1 1959 1 77 ILE HB 1 78 LEU QB 4.500 3.600 5.400 4.562 3.998 4.736 . 0 0 "[ . 1 . 2 . 3]" 1 1960 1 77 ILE MD 1 78 LEU H 4.600 3.700 5.500 4.719 4.631 4.806 . 0 0 "[ . 1 . 2 . 3]" 1 1961 1 77 ILE MD 1 110 LEU H 5.100 4.100 6.100 4.600 4.343 5.148 . 0 0 "[ . 1 . 2 . 3]" 1 1962 1 77 ILE MD 1 110 LEU HA 4.100 3.300 4.900 3.608 2.778 4.124 0.522 6 1 "[ .+ 1 . 2 . 3]" 1 1963 1 77 ILE MD 1 110 LEU QB 4.300 3.400 5.200 4.246 3.563 4.697 . 0 0 "[ . 1 . 2 . 3]" 1 1964 1 77 ILE MD 1 110 LEU QD 4.400 3.500 5.300 3.436 2.421 5.179 1.079 6 5 "[ * .+ 1- . 2 * . *3]" 1 1965 1 77 ILE MD 1 113 PHE H 4.800 3.800 5.800 5.176 4.737 5.557 . 0 0 "[ . 1 . 2 . 3]" 1 1966 1 77 ILE MD 1 113 PHE QB 4.700 3.800 5.600 3.359 2.891 3.734 0.909 22 11 "[** .* -1* * . * 2 +* . **3]" 1 1967 1 77 ILE MD 1 113 PHE QD 4.100 3.300 4.900 2.180 1.784 2.641 1.516 6 30 [*****+******-*****************] 1 1968 1 77 ILE MD 1 113 PHE QE 4.400 3.500 5.300 2.973 2.474 3.430 1.026 20 13 "[** *.-* 1 . * *+ * *.* **3]" 1 1969 1 77 ILE QG 1 78 LEU H 4.900 3.900 5.900 4.083 3.967 4.195 . 0 0 "[ . 1 . 2 . 3]" 1 1970 1 77 ILE QG 1 106 THR MG 3.400 2.700 4.100 3.298 3.191 3.360 . 0 0 "[ . 1 . 2 . 3]" 1 1971 1 77 ILE QG 1 110 LEU H 3.900 3.100 4.700 3.822 3.620 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 1972 1 77 ILE QG 1 110 LEU QB 3.600 2.900 4.300 3.316 3.006 3.619 . 0 0 "[ . 1 . 2 . 3]" 1 1973 1 77 ILE QG 1 109 MET HA 3.300 2.600 4.000 4.274 3.967 4.541 0.541 20 1 "[ . 1 . + . 3]" 1 1974 1 77 ILE QG 1 110 LEU H 2.800 2.200 3.400 2.205 2.081 2.246 0.119 2 0 "[ . 1 . 2 . 3]" 1 1975 1 77 ILE MG 1 78 LEU H 3.800 3.000 4.600 3.595 3.314 3.762 . 0 0 "[ . 1 . 2 . 3]" 1 1976 1 77 ILE MG 1 78 LEU HA 4.100 3.300 4.900 3.525 3.299 3.713 0.001 2 0 "[ . 1 . 2 . 3]" 1 1977 1 77 ILE MG 1 110 LEU QB 3.100 2.500 3.700 1.776 1.667 1.863 0.833 17 30 [**-*************+*************] 1 1978 1 77 ILE MG 1 106 THR HA 3.900 3.100 4.700 2.105 2.073 2.441 1.027 30 30 [************************-****+] 1 1979 1 78 LEU H 1 78 LEU HA 3.800 3.000 3.800 2.911 2.896 2.915 0.104 17 0 "[ . 1 . 2 . 3]" 1 1980 1 78 LEU H 1 78 LEU QB 2.900 2.300 3.500 2.569 2.446 2.790 . 0 0 "[ . 1 . 2 . 3]" 1 1981 1 78 LEU H 1 78 LEU QD 3.900 3.100 4.400 2.979 1.983 3.193 1.117 2 2 "[ + . 1 . -2 . 3]" 1 1982 1 78 LEU H 1 78 LEU HG 3.000 2.400 3.600 2.284 1.689 2.575 0.711 17 3 "[ - . 1 *. + 2 . 3]" 1 1983 1 78 LEU H 1 79 THR H 3.200 2.600 3.600 2.324 2.282 2.467 0.318 22 0 "[ . 1 . 2 . 3]" 1 1984 1 78 LEU H 1 79 THR MG 4.500 3.600 5.400 3.833 3.703 4.060 . 0 0 "[ . 1 . 2 . 3]" 1 1985 1 78 LEU HA 1 78 LEU QD . 3.300 4.000 2.341 2.024 3.438 1.276 5 25 "[* *+***-**** ** * ***********]" 1 1986 1 78 LEU HA 1 79 THR H 3.200 2.600 3.800 3.459 3.408 3.566 . 0 0 "[ . 1 . 2 . 3]" 1 1987 1 78 LEU QB 1 79 THR H 3.600 2.900 4.300 3.084 2.321 3.622 0.579 23 1 "[ . 1 . 2 + . 3]" 1 1988 1 78 LEU QB 1 79 THR H 3.400 2.700 4.000 3.081 2.321 3.615 0.379 23 0 "[ . 1 . 2 . 3]" 1 1989 1 78 LEU QB 1 79 THR MG 4.300 3.400 5.200 3.022 2.759 4.010 0.641 15 21 "[* *.******** +* - * ****** *]" 1 1990 1 78 LEU QD 1 79 THR H 4.900 4.100 5.900 3.982 2.554 4.302 1.546 14 5 "[ -* . 1 +. * *2 . 3]" 1 1991 1 79 THR H 1 79 THR MG 4.600 3.700 5.500 2.516 2.174 2.655 1.526 23 30 [***************-******+*******] 1 1992 1 79 THR H 1 80 THR H 3.300 2.600 4.000 2.481 2.348 2.758 0.252 11 0 "[ . 1 . 2 . 3]" 1 1993 1 79 THR H 1 80 THR MG 4.200 3.400 5.000 5.668 4.013 5.985 0.985 23 29 "[***** ****-***********+*******]" 1 1994 1 79 THR H 1 81 PRO QD 3.500 2.800 4.200 3.064 2.869 3.350 . 0 0 "[ . 1 . 2 . 3]" 1 1995 1 79 THR HA 1 82 LEU H 3.200 2.600 3.800 2.715 2.702 2.739 . 0 0 "[ . 1 . 2 . 3]" 1 1996 1 79 THR HA 1 82 LEU H 4.600 3.700 5.500 3.613 3.492 3.819 0.208 23 0 "[ . 1 . 2 . 3]" 1 1997 1 79 THR HA 1 82 LEU QD 4.400 3.500 5.300 3.240 2.617 4.058 0.883 6 4 "[ *+ 1 . 2 - * 3]" 1 1998 1 79 THR HB 1 82 LEU QD 4.900 3.900 5.900 4.701 4.232 5.618 . 0 0 "[ . 1 . 2 . 3]" 1 1999 1 79 THR HB 1 83 ILE MD 5.000 4.000 6.000 3.655 2.750 4.276 1.250 9 8 "[ . * +** . * **.- 3]" 1 2000 1 79 THR MG 1 80 THR H 4.400 3.500 5.300 3.856 3.808 3.927 . 0 0 "[ . 1 . 2 . 3]" 1 2001 1 80 THR H 1 80 THR MG 3.600 2.900 4.300 3.713 2.230 3.785 0.670 6 1 "[ .+ 1 . 2 . 3]" 1 2002 1 80 THR H 1 81 PRO QD 3.200 2.600 3.800 2.430 2.185 2.563 0.415 28 0 "[ . 1 . 2 . 3]" 1 2003 1 80 THR H 1 82 LEU H 3.800 3.000 4.600 4.054 3.940 4.177 . 0 0 "[ . 1 . 2 . 3]" 1 2004 1 80 THR H 1 82 LEU H 3.600 2.900 4.300 3.691 3.607 3.773 . 0 0 "[ . 1 . 2 . 3]" 1 2005 1 80 THR H 1 109 MET ME 3.900 3.100 4.700 4.062 3.673 4.630 . 0 0 "[ . 1 . 2 . 3]" 1 2006 1 80 THR H 1 171 TRP HH2 3.800 3.000 4.600 5.985 5.384 6.099 1.499 19 30 [*****-************+***********] 1 2007 1 80 THR HA 1 83 ILE MD 4.600 3.700 5.500 2.087 2.000 2.374 1.700 21 30 [********-***********+*********] 1 2008 1 80 THR HA 1 171 TRP HH2 5.200 4.200 6.200 3.385 2.846 3.548 1.354 6 30 [*****+************-***********] 1 2009 1 80 THR MG 1 84 VAL QG 5.200 4.200 6.200 2.813 2.360 4.272 1.840 28 29 "[***** ****************-****+**]" 1 2010 1 80 THR MG 1 105 ASN QD 5.500 4.400 6.200 4.042 3.616 5.237 0.784 28 9 "[* . - 1 . * ** *** + 3]" 1 2011 1 80 THR MG 1 108 VAL QG 4.500 3.600 5.400 1.843 1.721 2.036 1.879 23 30 [*********-************+*******] 1 2012 1 80 THR MG 1 171 TRP HE1 5.300 4.200 6.400 4.627 4.122 5.105 0.078 8 0 "[ . 1 . 2 . 3]" 1 2013 1 80 THR MG 1 171 TRP HH2 . 4.500 5.000 2.394 1.895 3.295 2.605 28 30 [*****-*********************+**] 1 2014 1 81 PRO HA 1 82 LEU H 3.200 2.600 3.800 2.741 2.735 2.746 . 0 0 "[ . 1 . 2 . 3]" 1 2015 1 81 PRO HA 1 85 TYR H 3.200 2.600 3.800 3.269 3.190 3.358 . 0 0 "[ . 1 . 2 . 3]" 1 2016 1 81 PRO HA 1 83 ILE H 3.900 3.100 4.700 4.307 4.181 4.675 . 0 0 "[ . 1 . 2 . 3]" 1 2017 1 81 PRO HA 1 84 VAL H 3.300 2.600 4.000 3.698 3.556 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 2018 1 81 PRO HA 1 84 VAL HB 3.900 3.100 4.700 4.800 4.680 4.982 0.282 29 0 "[ . 1 . 2 . 3]" 1 2019 1 81 PRO HA 1 102 ILE MD 3.700 3.000 4.400 3.014 2.630 3.490 0.370 6 0 "[ . 1 . 2 . 3]" 1 2020 1 81 PRO HA 1 102 ILE MG 4.100 3.300 4.900 3.490 3.158 3.747 0.142 6 0 "[ . 1 . 2 . 3]" 1 2021 1 81 PRO QD 1 82 LEU H 3.300 2.600 4.000 2.716 2.587 2.932 0.013 26 0 "[ . 1 . 2 . 3]" 1 2022 1 81 PRO QD 1 83 ILE H 3.600 2.900 4.300 4.427 4.333 4.588 0.288 28 0 "[ . 1 . 2 . 3]" 1 2023 1 82 LEU H 1 82 LEU QD 3.200 2.600 3.800 3.488 2.559 3.707 0.041 6 0 "[ . 1 . 2 . 3]" 1 2024 1 82 LEU H 1 82 LEU QD 3.800 3.000 4.600 2.662 2.173 3.073 0.827 7 7 "[ * . + -* . 2* * . * 3]" 1 2025 1 82 LEU H 1 82 LEU HG . 3.300 3.400 4.527 4.192 4.616 1.216 14 30 [**********-**+****************] 1 2026 1 82 LEU H 1 83 ILE H 3.300 3.000 4.000 2.439 2.387 2.520 0.613 20 28 "[***** *********-***+******* **]" 1 2027 1 82 LEU H 1 84 VAL H 3.600 2.900 4.300 4.251 4.160 4.338 0.038 13 0 "[ . 1 . 2 . 3]" 1 2028 1 82 LEU H 1 84 VAL QG 4.200 3.400 5.000 3.869 3.723 3.981 . 0 0 "[ . 1 . 2 . 3]" 1 2029 1 82 LEU H 1 85 TYR H 3.200 2.600 3.800 3.863 3.844 3.875 0.075 6 0 "[ . 1 . 2 . 3]" 1 2030 1 82 LEU HA 1 85 TYR H 4.400 3.500 5.300 3.449 3.307 3.603 0.193 23 0 "[ . 1 . 2 . 3]" 1 2031 1 82 LEU HA 1 85 TYR QD 4.500 3.600 5.400 3.865 3.502 4.180 0.098 11 0 "[ . 1 . 2 . 3]" 1 2032 1 82 LEU HA 1 86 PHE H 4.500 3.600 4.700 4.322 4.207 4.455 . 0 0 "[ . 1 . 2 . 3]" 1 2033 1 82 LEU QD 1 83 ILE H 3.800 3.000 4.600 2.813 2.062 2.984 0.938 9 1 "[ . +1 . 2 . 3]" 1 2034 1 82 LEU QD 1 85 TYR QD 4.100 3.300 4.900 2.232 1.801 2.906 1.499 2 29 "[*+**-********************** **]" 1 2035 1 82 LEU HG 1 83 ILE H 3.600 2.900 4.300 4.535 4.186 5.237 0.937 11 8 "[* * ** *+ .- 2 . * 3]" 1 2036 1 83 ILE H 1 83 ILE MD 4.700 3.800 5.600 3.066 2.083 3.390 1.717 9 28 "[***-****+********* * *********]" 1 2037 1 83 ILE H 1 84 VAL QG 4.400 3.500 5.200 3.500 3.447 3.574 0.053 22 0 "[ . 1 . 2 . 3]" 1 2038 1 83 ILE H 1 85 TYR H 4.300 3.400 5.200 3.730 3.661 3.943 . 0 0 "[ . 1 . 2 . 3]" 1 2039 1 83 ILE MD 1 84 VAL H 4.800 3.800 5.800 4.542 4.019 4.637 . 0 0 "[ . 1 . 2 . 3]" 1 2040 1 83 ILE MD 1 86 PHE QB 4.400 4.200 5.300 3.825 3.631 4.549 0.569 21 6 "[ ** 1 * .- *2+ . 3]" 1 2041 1 83 ILE MD 1 204 THR MG 5.500 4.400 6.600 2.130 1.902 3.104 2.498 19 30 [********-*********+***********] 1 2042 1 83 ILE MD 1 208 PHE QB 6.000 4.800 7.200 4.678 3.610 5.555 1.190 5 10 "[ *+* - 1 * . * *2 * .* * 3]" 1 2043 1 83 ILE MG 1 84 VAL H 4.400 3.500 4.400 3.300 2.810 3.530 0.690 9 1 "[ . +1 . 2 . 3]" 1 2044 1 83 ILE MG 1 84 VAL QG 3.600 2.900 4.300 2.442 2.280 2.754 0.620 9 12 "[ * ** *+1 - ** 2* ** * 3]" 1 2045 1 83 ILE MG 1 85 TYR H 4.900 3.900 5.900 4.784 4.505 4.969 . 0 0 "[ . 1 . 2 . 3]" 1 2046 1 83 ILE MG 1 86 PHE QB 3.800 3.000 4.600 3.456 3.342 3.662 . 0 0 "[ . 1 . 2 . 3]" 1 2047 1 83 ILE MG 1 87 LEU H . 4.100 4.900 4.260 4.120 4.403 . 0 0 "[ . 1 . 2 . 3]" 1 2048 1 83 ILE MG 1 167 THR MG 5.000 4.000 6.000 2.526 2.268 2.869 1.732 18 30 [******-**********+************] 1 2049 1 83 ILE MG 1 171 TRP HE1 4.300 3.400 5.200 3.650 2.924 4.077 0.476 6 0 "[ . 1 . 2 . 3]" 1 2050 1 83 ILE MG 1 171 TRP HH2 4.300 3.400 5.200 3.310 2.809 3.867 0.591 9 1 "[ . +1 . 2 . 3]" 1 2051 1 83 ILE MG 1 171 TRP HZ2 3.900 3.100 4.700 2.510 2.268 2.926 0.832 20 25 "[* **-************ *+****. * **]" 1 2052 1 83 ILE MG 1 208 PHE QD 5.200 4.200 6.200 3.518 2.803 4.079 1.397 19 19 "[* ***** * -**** +* *****3]" 1 2053 1 84 VAL H 1 84 VAL HA 3.200 2.600 3.800 2.806 2.794 2.814 . 0 0 "[ . 1 . 2 . 3]" 1 2054 1 84 VAL H 1 84 VAL HB . 3.000 3.500 3.629 3.619 3.638 0.138 4 0 "[ . 1 . 2 . 3]" 1 2055 1 84 VAL H 1 84 VAL QG 3.800 3.000 4.000 1.872 1.836 1.894 1.164 13 30 [************+************-****] 1 2056 1 84 VAL H 1 85 TYR H 3.500 2.800 4.200 2.597 2.560 2.677 0.240 21 0 "[ . 1 . 2 . 3]" 1 2057 1 84 VAL H 1 86 PHE H 3.900 3.100 4.700 2.715 2.593 2.802 0.507 29 1 "[ . 1 . 2 . +3]" 1 2058 1 84 VAL H 1 171 TRP HH2 3.400 2.700 4.100 2.960 2.703 3.417 . 0 0 "[ . 1 . 2 . 3]" 1 2059 1 84 VAL HA 1 84 VAL QG 3.300 2.600 4.000 2.281 2.225 2.319 0.375 13 0 "[ . 1 . 2 . 3]" 1 2060 1 84 VAL HA 1 85 TYR H 3.700 3.000 4.400 3.485 3.472 3.522 . 0 0 "[ . 1 . 2 . 3]" 1 2061 1 84 VAL HA 1 86 PHE QB 3.900 3.100 4.700 4.577 4.471 4.699 . 0 0 "[ . 1 . 2 . 3]" 1 2062 1 84 VAL HA 1 87 LEU H 4.500 3.600 5.400 3.372 3.216 3.494 0.384 1 0 "[ . 1 . 2 . 3]" 1 2063 1 84 VAL HA 1 87 LEU H 3.200 2.600 3.800 3.281 3.150 3.381 . 0 0 "[ . 1 . 2 . 3]" 1 2064 1 84 VAL HA 1 88 GLY H 3.200 2.600 3.800 2.200 2.191 2.209 0.409 5 0 "[ . 1 . 2 . 3]" 1 2065 1 84 VAL HA 1 145 MET ME 3.600 2.900 4.300 2.925 2.262 3.196 0.638 28 1 "[ . 1 . 2 . + 3]" 1 2066 1 84 VAL HB 1 85 TYR H 3.300 2.600 4.000 3.846 3.763 3.911 . 0 0 "[ . 1 . 2 . 3]" 1 2067 1 84 VAL HB 1 145 MET ME 3.900 3.100 4.700 3.611 3.460 3.663 . 0 0 "[ . 1 . 2 . 3]" 1 2068 1 84 VAL QG 1 85 TYR H 3.900 3.100 4.700 2.198 2.101 2.250 0.999 6 30 [***-*+************************] 1 2069 1 84 VAL QG 1 85 TYR H 3.400 2.700 4.100 2.177 2.079 2.229 0.621 6 22 "[* *+****-** .****** **** * *]" 1 2070 1 84 VAL QG 1 85 TYR H 4.200 3.400 5.000 2.178 2.084 2.235 1.316 6 30 [*****+********************-***] 1 2071 1 84 VAL QG 1 85 TYR QB 3.400 2.700 4.100 3.058 2.994 3.132 . 0 0 "[ . 1 . 2 . 3]" 1 2072 1 84 VAL QG 1 87 LEU H 4.100 3.300 4.900 4.596 4.460 4.682 . 0 0 "[ . 1 . 2 . 3]" 1 2073 1 84 VAL QG 1 88 GLY H 3.900 3.100 4.700 3.572 3.515 3.669 . 0 0 "[ . 1 . 2 . 3]" 1 2074 1 84 VAL MG1 1 84 VAL MG2 2.700 2.200 3.200 1.836 1.820 1.853 0.380 24 0 "[ . 1 . 2 . 3]" 1 2075 1 84 VAL QG 1 145 MET ME 3.400 2.700 4.100 1.877 1.554 2.295 1.146 28 29 "[* ********-****************+**]" 1 2076 1 84 VAL QG 1 88 GLY H 3.900 3.100 4.700 4.085 3.953 4.583 . 0 0 "[ . 1 . 2 . 3]" 1 2077 1 84 VAL QG 1 98 PHE QE 4.900 3.900 5.900 3.560 3.277 4.190 0.623 9 4 "[ . +1** . -2 . 3]" 1 2078 1 84 VAL QG 1 93 LEU QD 4.000 3.200 4.800 2.520 2.031 2.894 1.169 28 24 "[** ******** **.-******* ***+ 3]" 1 2079 1 84 VAL QG 1 98 PHE QD 3.800 3.000 4.600 2.997 2.611 3.294 0.389 9 0 "[ . 1 . 2 . 3]" 1 2080 1 84 VAL QG 1 102 ILE H 3.100 2.500 3.700 2.473 1.944 2.796 0.556 12 4 "[ . * -1 + * 2 . 3]" 1 2081 1 84 VAL QG 1 102 ILE HA 3.600 2.900 4.300 1.898 1.854 1.930 1.046 11 30 [**********+******************-] 1 2082 1 84 VAL QG 1 102 ILE H 3.300 2.600 4.000 1.943 1.820 2.787 0.780 1 27 "[+***************** *****-* **3]" 1 2083 1 84 VAL QG 1 102 ILE MD 4.200 3.800 5.000 2.179 1.958 2.472 1.842 6 30 [*****+**-*********************] 1 2084 1 84 VAL QG 1 105 ASN H 3.600 2.900 4.300 3.264 2.747 3.447 0.153 14 0 "[ . 1 . 2 . 3]" 1 2085 1 84 VAL QG 1 105 ASN QB 4.400 3.500 5.300 3.228 2.941 3.422 0.559 28 1 "[ . 1 . 2 . + 3]" 1 2086 1 84 VAL QG 1 105 ASN QD 5.100 4.400 6.100 2.399 1.866 2.797 2.534 28 30 [*************************-*+**] 1 2087 1 84 VAL QG 1 171 TRP HH2 4.700 3.800 5.600 1.914 1.764 2.221 2.036 21 30 [**-*****************+*********] 1 2088 1 84 VAL QG 1 167 THR MG 6.000 4.800 7.200 3.951 3.349 4.416 1.451 17 27 "[**-*.********** +********** **]" 1 2089 1 85 TYR H 1 85 TYR HA 3.200 2.600 3.800 2.825 2.802 2.841 . 0 0 "[ . 1 . 2 . 3]" 1 2090 1 85 TYR H 1 85 TYR QB 3.100 2.600 3.700 2.255 2.244 2.265 0.356 22 0 "[ . 1 . 2 . 3]" 1 2091 1 85 TYR H 1 85 TYR QD 4.400 3.500 5.300 4.196 4.173 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 2092 1 85 TYR H 1 86 PHE H 4.000 3.200 4.200 2.543 2.493 2.649 0.707 15 30 [**************+**********-****] 1 2093 1 85 TYR H 1 86 PHE QB 4.100 3.300 4.900 4.296 4.248 4.353 . 0 0 "[ . 1 . 2 . 3]" 1 2094 1 85 TYR H 1 102 ILE MD 4.400 3.500 5.300 3.519 3.316 3.777 0.184 6 0 "[ . 1 . 2 . 3]" 1 2095 1 85 TYR HA 1 85 TYR QD 4.300 3.400 5.200 2.702 2.501 2.951 0.899 26 29 "[* **********-************+****]" 1 2096 1 85 TYR HA 1 85 TYR QE 4.600 3.700 5.500 4.593 4.535 4.653 . 0 0 "[ . 1 . 2 . 3]" 1 2097 1 85 TYR HA 1 86 PHE H 4.100 3.300 4.900 3.502 3.489 3.535 . 0 0 "[ . 1 . 2 . 3]" 1 2098 1 85 TYR HA 1 86 PHE HA 5.100 4.100 6.100 4.824 4.795 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 2099 1 85 TYR HA 1 88 GLY H 4.300 3.400 5.200 3.301 3.211 3.392 0.189 2 0 "[ . 1 . 2 . 3]" 1 2100 1 85 TYR HA 1 89 LEU H 4.500 3.600 5.400 4.409 4.274 4.601 . 0 0 "[ . 1 . 2 . 3]" 1 2101 1 85 TYR QB 1 85 TYR QE 5.200 4.200 6.200 3.937 3.934 3.941 0.266 15 0 "[ . 1 . 2 . 3]" 1 2102 1 85 TYR QB 1 85 TYR QE 4.500 3.600 5.400 3.390 2.914 3.753 0.686 12 4 "[ . -*1 + .* 2 . 3]" 1 2103 1 85 TYR QB 1 89 LEU QD 4.200 3.400 5.000 4.066 3.703 4.338 . 0 0 "[ . 1 . 2 . 3]" 1 2104 1 85 TYR QB 1 102 ILE MD 3.900 3.100 4.700 2.341 2.145 2.660 0.955 23 29 "[******************-***+**** **]" 1 2105 1 85 TYR QD 1 86 PHE H 4.600 3.700 4.600 3.876 3.742 3.999 . 0 0 "[ . 1 . 2 . 3]" 1 2106 1 85 TYR QD 1 86 PHE HA 5.100 4.100 6.100 3.687 3.432 3.919 0.668 2 6 "[ + *. 1 *-* 2 * . 3]" 1 2107 1 85 TYR QD 1 86 PHE QB 5.000 4.000 6.000 4.506 4.343 4.654 . 0 0 "[ . 1 . 2 . 3]" 1 2108 1 85 TYR QD 1 88 GLY H 5.100 4.100 6.100 5.220 5.026 5.341 . 0 0 "[ . 1 . 2 . 3]" 1 2109 1 85 TYR QD 1 89 LEU H 5.000 4.000 6.000 5.052 4.665 5.195 . 0 0 "[ . 1 . 2 . 3]" 1 2110 1 85 TYR QD 1 89 LEU QD 5.200 4.400 6.100 2.712 2.350 3.048 2.050 19 30 [******************+********-**] 1 2111 1 85 TYR QD 1 89 LEU HG 5.000 4.000 6.000 3.568 2.829 5.417 1.171 2 13 "[ + *.* *-1 ***** ** . *3]" 1 2112 1 85 TYR QD 1 98 PHE QD 4.800 3.800 5.800 2.673 2.171 3.080 1.629 26 30 [*********************-***+****] 1 2113 1 85 TYR QD 1 98 PHE QE 4.800 4.100 5.800 3.208 2.324 3.842 1.776 28 25 "[* *-******* **.****** *****+ *]" 1 2114 1 85 TYR QD 1 102 ILE MD 4.300 3.400 5.200 2.408 1.809 2.946 1.591 2 29 "[*+********-**************** **]" 1 2115 1 85 TYR QE 1 86 PHE H 4.600 3.700 5.500 5.917 5.751 6.015 0.515 6 7 "[ - .+ **1 * . *2 . *3]" 1 2116 1 85 TYR QE 1 86 PHE HA 5.400 4.300 6.500 5.103 4.903 5.301 . 0 0 "[ . 1 . 2 . 3]" 1 2117 1 85 TYR QE 1 89 LEU QB 3.700 3.000 4.400 4.863 4.639 5.292 0.892 26 12 "[* . * 1* . ** 2 -**+** *]" 1 2118 1 85 TYR QE 1 89 LEU QD 4.600 3.700 5.400 2.071 1.883 2.569 1.817 8 30 [*******+*****************-****] 1 2119 1 85 TYR QE 1 98 PHE QD 4.800 3.800 5.800 3.378 3.040 3.771 0.760 26 10 "[** . **1 * .- ** *+ 3]" 1 2120 1 85 TYR QE 1 98 PHE QE 5.000 4.900 6.000 3.737 3.228 4.215 1.672 20 30 [*******************+*-********] 1 2121 1 85 TYR QE 1 98 PHE HZ 5.100 4.100 6.100 4.676 4.032 5.212 0.068 28 0 "[ . 1 . 2 . 3]" 1 2122 1 85 TYR QE 1 124 TYR H 4.100 3.300 4.900 5.228 5.052 5.500 0.600 6 2 "[ .+ 1 . - . 3]" 1 2123 1 85 TYR QE 1 178 TRP HE1 4.400 3.500 5.300 5.492 5.384 5.599 0.299 22 0 "[ . 1 . 2 . 3]" 1 2124 1 86 PHE H 1 86 PHE QB 3.700 3.000 4.400 2.204 2.169 2.258 0.831 5 30 [****+***************-*********] 1 2125 1 86 PHE H 1 86 PHE QD 4.000 3.200 4.800 4.110 4.061 4.145 . 0 0 "[ . 1 . 2 . 3]" 1 2126 1 86 PHE H 1 86 PHE QD 4.800 3.800 5.800 3.408 3.336 3.489 0.464 21 0 "[ . 1 . 2 . 3]" 1 2127 1 86 PHE HA 1 86 PHE QD 4.600 3.700 5.500 3.044 2.814 3.095 0.886 20 30 [-******************+**********] 1 2128 1 86 PHE HA 1 87 LEU H 3.200 2.600 3.800 3.557 3.533 3.568 . 0 0 "[ . 1 . 2 . 3]" 1 2129 1 86 PHE HA 1 88 GLY H 4.200 3.400 5.000 4.185 4.045 4.364 . 0 0 "[ . 1 . 2 . 3]" 1 2130 1 86 PHE HA 1 89 LEU H 3.600 2.900 4.300 3.437 3.302 3.623 . 0 0 "[ . 1 . 2 . 3]" 1 2131 1 86 PHE HA 1 89 LEU QB 4.400 3.900 5.300 2.956 2.716 3.214 1.184 16 30 [****-**********+**************] 1 2132 1 86 PHE HA 1 89 LEU QD 4.600 4.300 4.700 2.316 2.026 2.717 2.274 4 30 [***+-*************************] 1 2133 1 86 PHE HA 1 90 LEU H 3.600 2.900 4.300 4.601 4.488 4.693 0.393 5 0 "[ . 1 . 2 . 3]" 1 2134 1 86 PHE QB 1 87 LEU QD 3.600 2.900 4.300 2.204 2.048 2.358 0.852 9 30 [********+****-****************] 1 2135 1 86 PHE QB 1 88 GLY H 3.600 2.900 4.300 4.399 4.301 4.567 0.267 16 0 "[ . 1 . 2 . 3]" 1 2136 1 86 PHE QB 1 89 LEU QD 5.100 4.100 6.100 4.046 3.780 4.399 0.320 16 0 "[ . 1 . 2 . 3]" 1 2137 1 86 PHE QB 1 163 LEU QD 5.400 4.300 6.500 3.700 3.308 4.235 0.992 25 24 "[*******- *** ** ** 2****+** **]" 1 2138 1 86 PHE QD 1 87 LEU H 3.600 2.900 4.300 3.641 3.517 3.769 . 0 0 "[ . 1 . 2 . 3]" 1 2139 1 86 PHE QD 1 87 LEU HA 5.100 4.100 6.100 3.269 3.131 3.452 0.969 19 30 [******************+-**********] 1 2140 1 86 PHE QD 1 87 LEU QD 4.100 3.300 4.900 3.019 2.486 3.576 0.814 19 8 "[ * . * *. * +* . -*]" 1 2141 1 86 PHE QD 1 89 LEU QD 6.500 5.200 7.800 3.832 3.142 4.180 2.058 20 30 [********-**********+**********] 1 2142 1 86 PHE QD 1 90 LEU H 4.600 3.700 5.500 4.379 3.956 4.928 . 0 0 "[ . 1 . 2 . 3]" 1 2143 1 86 PHE QD 1 90 LEU QD 4.100 3.500 4.900 2.594 2.320 2.974 1.180 27 30 [*******************-******+***] 1 2144 1 86 PHE QD 1 163 LEU QD 5.800 4.600 7.000 2.993 2.413 4.200 2.187 25 29 "[******** ***************+**-**]" 1 2145 1 86 PHE QE 1 87 LEU QD 4.500 4.000 5.400 3.557 2.976 4.392 1.024 30 15 "[ * *.****1** . * *2 *-*. * +]" 1 2146 1 86 PHE QE 1 89 LEU QB 5.700 4.600 6.800 4.873 4.736 4.975 . 0 0 "[ . 1 . 2 . 3]" 1 2147 1 86 PHE QE 1 90 LEU QD 5.200 4.200 5.600 2.156 1.830 2.471 2.370 18 30 [****-************+************] 1 2148 1 86 PHE QE 1 159 LEU QB 5.000 4.000 6.000 5.121 4.345 5.754 . 0 0 "[ . 1 . 2 . 3]" 1 2149 1 86 PHE QE 1 163 LEU QD 5.100 4.100 6.100 2.367 1.926 3.057 2.174 21 30 [********************+******-**] 1 2150 1 86 PHE QE 1 212 ALA MB 4.200 3.400 5.000 2.926 2.077 3.813 1.323 21 14 "[* - * ** *** 2+ *****3]" 1 2151 1 86 PHE QE 1 212 ALA MB 4.300 3.400 5.200 3.668 3.300 4.204 0.100 6 0 "[ . 1 . 2 . 3]" 1 2152 1 86 PHE HZ 1 163 LEU QD 4.900 4.600 5.500 4.112 3.573 4.943 1.027 21 15 "[****. * 1 * * ***+ *** -]" 1 2153 1 87 LEU H 1 88 GLY H 3.300 3.000 4.000 2.606 2.514 2.728 0.486 19 0 "[ . 1 . 2 . 3]" 1 2154 1 87 LEU H 1 89 LEU H 3.700 3.000 4.400 4.080 4.008 4.434 0.034 26 0 "[ . 1 . 2 . 3]" 1 2155 1 87 LEU H 1 90 LEU H 3.700 3.000 4.400 4.990 4.830 5.140 0.740 20 28 "[****.**************+ *-*******]" 1 2156 1 87 LEU H 1 90 LEU QD 4.700 3.800 5.600 4.405 3.957 5.046 . 0 0 "[ . 1 . 2 . 3]" 1 2157 1 87 LEU H 1 145 MET ME 4.300 3.400 5.200 5.600 5.088 5.950 0.750 15 9 "[ . **1 *-*+ 2 * . **]" 1 2158 1 87 LEU HA 1 88 GLY H 4.100 3.300 4.900 3.488 3.452 3.532 . 0 0 "[ . 1 . 2 . 3]" 1 2159 1 87 LEU HA 1 90 LEU H 3.800 3.000 4.600 3.393 3.104 3.694 . 0 0 "[ . 1 . 2 . 3]" 1 2160 1 87 LEU HA 1 90 LEU QD 4.400 3.700 5.300 2.305 1.790 3.317 1.910 26 29 [*******************2*-***+****] 1 2161 1 87 LEU HA 1 90 LEU HG 4.100 3.300 4.900 3.306 2.551 4.490 0.749 26 3 "[ . * . 2 -.+ 3]" 1 2162 1 87 LEU QD 1 88 GLY H 5.200 4.200 6.200 3.806 3.721 3.948 0.479 21 0 "[ . 1 . 2 . 3]" 1 2163 1 87 LEU QD 1 90 LEU MD2 3.200 2.600 3.800 2.052 1.972 2.069 0.628 4 30 [***+*******************-******] 1 2164 1 87 LEU QD 1 167 THR MG 3.900 3.100 4.700 2.565 2.105 2.913 0.995 24 12 "[ *.**- 1 .****** *+. 3]" 1 2165 1 87 LEU QD 1 163 LEU QD 3.700 3.300 4.400 2.058 1.603 2.926 1.697 14 29 "[************-+************* **]" 1 2166 1 87 LEU QD 1 164 ARG H 3.700 3.000 4.400 3.501 3.137 3.978 . 0 0 "[ . 1 . 2 . 3]" 1 2167 1 87 LEU QD 1 163 LEU QD . 4.300 4.900 3.032 2.181 3.721 2.119 14 30 [*************+*************-**] 1 2168 1 87 LEU QD 1 167 THR MG 4.600 3.700 5.500 2.958 2.265 3.301 1.435 19 25 "[ ****** **-******+*****.* ***]" 1 2169 1 87 LEU QD 1 167 THR MG 4.600 3.700 5.500 2.833 2.240 3.152 1.460 19 30 [*-****************+***********] 1 2170 1 88 GLY H 1 89 LEU H 3.700 3.000 4.400 2.556 2.475 2.664 0.525 19 1 "[ . 1 . +2 . 3]" 1 2171 1 88 GLY H 1 89 LEU QB 4.600 3.700 5.000 4.509 4.372 4.669 . 0 0 "[ . 1 . 2 . 3]" 1 2172 1 88 GLY H 1 90 LEU H 4.200 3.400 5.000 4.215 4.004 4.377 . 0 0 "[ . 1 . 2 . 3]" 1 2173 1 88 GLY H 1 91 ALA MB 5.000 4.000 6.000 5.126 4.631 5.509 . 0 0 "[ . 1 . 2 . 3]" 1 2174 1 88 GLY H 1 93 LEU QD 4.900 3.900 5.000 4.095 3.850 4.239 0.050 16 0 "[ . 1 . 2 . 3]" 1 2175 1 88 GLY H 1 98 PHE QD 4.700 3.800 5.600 5.437 5.021 5.923 0.323 25 0 "[ . 1 . 2 . 3]" 1 2176 1 88 GLY H 1 98 PHE QE 5.000 4.000 5.200 3.752 3.436 4.222 0.564 16 2 "[ - . 1 .+ 2 . 3]" 1 2177 1 88 GLY H 1 98 PHE HZ 5.300 4.200 6.400 5.027 4.523 5.334 . 0 0 "[ . 1 . 2 . 3]" 1 2178 1 88 GLY H 1 145 MET ME 4.000 3.200 4.800 4.169 3.719 4.406 . 0 0 "[ . 1 . 2 . 3]" 1 2179 1 88 GLY QA 1 89 LEU H 3.500 2.800 4.200 2.804 2.688 2.830 0.112 26 0 "[ . 1 . 2 . 3]" 1 2180 1 88 GLY QA 1 93 LEU H 3.700 3.000 4.400 3.678 3.261 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 2181 1 88 GLY QA 1 93 LEU QB 4.700 3.800 5.600 3.620 3.291 4.047 0.509 26 1 "[ . 1 . 2 .+ 3]" 1 2182 1 88 GLY QA 1 93 LEU QD 3.900 3.100 4.700 1.954 1.770 2.140 1.330 1 30 [+***************-*************] 1 2183 1 88 GLY QA 1 98 PHE QD 5.000 4.000 6.000 3.799 3.459 4.154 0.541 12 1 "[ . 1 + . 2 . 3]" 1 2184 1 88 GLY QA 1 98 PHE QE 4.500 3.600 5.400 2.186 1.938 2.725 1.662 24 30 [*******************-***+******] 1 2185 1 88 GLY QA 1 98 PHE HZ 4.500 3.600 5.400 3.098 2.594 3.500 1.006 1 17 "[+ ** * * **- ** *** ** * *]" 1 2186 1 89 LEU H 1 89 LEU QB . 3.500 4.000 2.307 2.255 2.403 1.245 19 30 [-*****************+***********] 1 2187 1 89 LEU H 1 89 LEU QD 4.100 3.300 4.600 3.197 1.916 3.301 1.384 26 1 "[ . 1 . 2 .+ 3]" 1 2188 1 89 LEU H 1 89 LEU HG . 3.200 3.700 2.628 2.384 3.558 0.816 1 27 "[+****** ************ **** **-*]" 1 2189 1 89 LEU H 1 90 LEU H 3.500 2.800 4.100 2.509 2.391 2.575 0.409 5 0 "[ . 1 . 2 . 3]" 1 2190 1 89 LEU H 1 90 LEU HA 4.200 3.400 5.000 5.140 5.041 5.193 0.193 20 0 "[ . 1 . 2 . 3]" 1 2191 1 89 LEU H 1 90 LEU QB 4.000 3.200 4.800 4.484 4.383 4.586 . 0 0 "[ . 1 . 2 . 3]" 1 2192 1 89 LEU H 1 90 LEU QD 4.400 3.500 5.300 4.585 4.396 4.854 . 0 0 "[ . 1 . 2 . 3]" 1 2193 1 89 LEU H 1 90 LEU QD 4.600 3.700 5.500 3.485 2.712 3.856 0.988 7 3 "[ . + * .- 2 . 3]" 1 2194 1 89 LEU H 1 91 ALA H 4.300 3.700 5.200 4.063 3.762 4.606 . 0 0 "[ . 1 . 2 . 3]" 1 2195 1 89 LEU H 1 91 ALA MB 5.300 4.200 6.400 5.009 4.696 5.502 . 0 0 "[ . 1 . 2 . 3]" 1 2196 1 89 LEU H 1 98 PHE QE 4.100 3.300 4.900 3.628 3.224 4.103 0.076 12 0 "[ . 1 . 2 . 3]" 1 2197 1 89 LEU H 1 98 PHE HZ . 3.500 4.300 3.801 3.361 4.077 0.139 26 0 "[ . 1 . 2 . 3]" 1 2198 1 89 LEU H 1 145 MET ME 5.100 4.100 6.100 5.794 5.228 6.038 . 0 0 "[ . 1 . 2 . 3]" 1 2199 1 89 LEU HA 1 89 LEU QD 4.700 3.800 4.700 2.022 1.903 2.692 1.897 21 30 [********************+****-****] 1 2200 1 89 LEU HA 1 90 LEU H 3.500 2.800 4.200 3.527 3.493 3.555 . 0 0 "[ . 1 . 2 . 3]" 1 2201 1 89 LEU HA 1 91 ALA H 3.900 3.100 4.700 4.349 4.047 4.929 0.229 1 0 "[ . 1 . 2 . 3]" 1 2202 1 89 LEU HA 1 92 GLY H 4.400 3.500 5.300 3.617 3.126 4.106 0.374 9 0 "[ . 1 . 2 . 3]" 1 2203 1 89 LEU HA 1 98 PHE HZ 4.300 3.400 4.700 2.708 2.260 3.011 1.140 9 29 "[ ***-***+*********************]" 1 2204 1 89 LEU QB 1 90 LEU H . 3.500 4.000 2.556 2.389 2.734 1.111 28 30 [***************-***********+**] 1 2205 1 89 LEU QB 1 90 LEU QD 4.300 3.400 5.200 3.662 3.472 3.854 . 0 0 "[ . 1 . 2 . 3]" 1 2206 1 89 LEU QB 1 90 LEU QD 4.400 3.500 5.300 3.250 3.108 3.323 0.392 21 0 "[ . 1 . 2 . 3]" 1 2207 1 89 LEU QB 1 90 LEU QD 3.900 3.100 4.700 3.523 3.357 3.669 . 0 0 "[ . 1 . 2 . 3]" 1 2208 1 89 LEU QB 1 98 PHE HZ 4.500 3.600 5.400 4.512 4.163 4.727 . 0 0 "[ . 1 . 2 . 3]" 1 2209 1 89 LEU MD1 1 89 LEU MD2 3.400 2.800 4.100 2.082 2.070 2.089 0.730 24 30 [******************-****+******] 1 2210 1 89 LEU QD 1 90 LEU H 4.700 3.800 5.300 4.079 3.712 4.186 0.088 26 0 "[ . 1 . 2 . 3]" 1 2211 1 89 LEU QD 1 90 LEU QD 4.600 4.200 5.500 4.391 4.230 4.556 . 0 0 "[ . 1 . 2 . 3]" 1 2212 1 89 LEU QD 1 90 LEU QD 5.500 4.400 6.600 2.122 1.787 2.531 2.613 3 30 [**+-**************************] 1 2213 1 89 LEU QD 1 92 GLY H 6.100 4.900 7.300 4.900 4.486 5.281 0.414 9 0 "[ . 1 . 2 . 3]" 1 2214 1 89 LEU QD 1 93 LEU H 5.600 4.500 6.700 4.993 4.539 5.503 . 0 0 "[ . 1 . 2 . 3]" 1 2215 1 89 LEU QD 1 98 PHE QD 4.600 3.700 5.500 2.727 2.152 3.113 1.548 9 30 [********+************-********] 1 2216 1 89 LEU QD 1 98 PHE HZ . 4.100 4.400 2.745 2.157 3.150 1.943 9 30 [********+*******************-*] 1 2217 1 89 LEU HG 1 90 LEU H 3.500 2.800 4.200 3.971 3.842 4.263 0.063 26 0 "[ . 1 . 2 . 3]" 1 2218 1 89 LEU HG 1 98 PHE HZ 4.300 3.400 5.200 3.685 3.289 4.019 0.111 28 0 "[ . 1 . 2 . 3]" 1 2219 1 90 LEU H 1 90 LEU QB . 3.500 4.000 2.422 2.293 2.534 1.207 20 30 [*******************+***-******] 1 2220 1 90 LEU H 1 90 LEU QD 4.000 3.400 4.300 3.085 2.939 3.247 0.461 24 0 "[ . 1 . 2 . 3]" 1 2221 1 90 LEU H 1 90 LEU HG . 3.100 3.700 2.275 2.016 2.599 1.084 24 30 [*******************-***+******] 1 2222 1 90 LEU H 1 91 ALA H 3.300 2.800 4.000 2.706 2.400 2.953 0.400 21 0 "[ . 1 . 2 . 3]" 1 2223 1 90 LEU H 1 93 LEU QB 4.700 3.800 5.600 5.125 4.826 5.569 . 0 0 "[ . 1 . 2 . 3]" 1 2224 1 90 LEU HA 1 90 LEU QD 3.900 3.100 4.700 2.054 1.966 2.156 1.134 30 30 [-****************************+] 1 2225 1 90 LEU HA 1 91 ALA H 3.500 2.800 4.200 3.525 3.448 3.568 . 0 0 "[ . 1 . 2 . 3]" 1 2226 1 90 LEU HA 1 92 GLY H 4.300 3.400 5.200 4.277 4.059 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 2227 1 90 LEU QB 1 90 LEU QD 3.400 2.700 3.800 1.843 1.720 1.906 0.980 10 30 [*********+*******-************] 1 2228 1 90 LEU QB 1 91 ALA H . 3.400 4.200 2.579 2.125 2.925 1.275 1 29 "[+******************- *********]" 1 2229 1 90 LEU QB 1 91 ALA MB 4.000 3.200 4.800 3.088 2.506 3.474 0.694 21 2 "[ . 1 . 2+ . - 3]" 1 2230 1 90 LEU QB 1 92 GLY H 5.000 4.200 6.000 4.788 4.491 5.050 . 0 0 "[ . 1 . 2 . 3]" 1 2231 1 90 LEU QB 1 149 ALA MB 3.300 2.600 4.000 2.007 1.738 2.176 0.862 4 26 "[***+* *************2 -*******3]" 1 2232 1 90 LEU QB 1 149 ALA MB 4.200 3.400 5.000 2.248 1.802 2.719 1.598 4 30 [***+***************-**********] 1 2233 1 90 LEU QB 1 156 ILE HA 3.400 2.700 4.100 2.468 2.076 2.587 0.624 4 1 "[ +. 1 . 2 . 3]" 1 2234 1 90 LEU QB 1 156 ILE MD 3.700 3.000 4.400 2.941 2.383 3.369 0.617 3 4 "[ + . 1 * * - 2 . 3]" 1 2235 1 90 LEU QB 1 159 LEU QB 4.300 3.400 4.300 4.201 3.464 4.956 0.656 21 1 "[ . 1 . 2+ . 3]" 1 2236 1 90 LEU QB 1 160 TYR H 3.300 2.600 4.000 2.668 2.171 2.874 0.429 9 0 "[ . 1 . 2 . 3]" 1 2237 1 90 LEU QB 1 160 TYR QD 5.200 4.200 6.200 2.590 1.952 4.342 2.248 16 28 "[-***. *********+**************]" 1 2238 1 90 LEU QD 1 91 ALA H 4.600 3.700 4.800 4.076 3.761 4.271 . 0 0 "[ . 1 . 2 . 3]" 1 2239 1 90 LEU QD 1 91 ALA H 3.700 3.000 4.400 3.322 3.125 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 2240 1 90 LEU QD 1 156 ILE HA 3.900 3.100 4.600 2.609 2.254 2.904 0.846 7 15 "[****. + * * ** **2 *-** 3]" 1 2241 1 90 LEU QD 1 160 TYR H 3.800 3.000 4.600 3.036 2.606 3.377 0.394 7 0 "[ . 1 . 2 . 3]" 1 2242 1 90 LEU QD 1 159 LEU HA 3.400 2.700 4.100 2.337 1.839 3.006 0.861 10 17 "[* *** * +*** *** 2 - ** **]" 1 2243 1 90 LEU QD 1 160 TYR QB 5.200 4.200 5.900 3.072 2.610 3.603 1.590 19 30 [*****-************+***********] 1 2244 1 90 LEU QD 1 163 LEU QD 4.700 4.400 5.600 2.128 1.788 2.546 2.612 3 30 [**+-**************************] 1 2245 1 90 LEU HG 1 219 LEU QD 3.600 2.900 4.300 3.739 2.784 4.630 0.330 28 0 "[ . 1 . 2 . 3]" 1 2246 1 91 ALA H 1 91 ALA MB 3.600 2.900 4.200 2.265 2.199 2.298 0.701 12 30 [***********+***-**************] 1 2247 1 91 ALA H 1 92 GLY H 3.400 3.300 4.100 2.524 2.289 2.714 1.011 9 30 [-*******+*********************] 1 2248 1 91 ALA H 1 92 GLY QA 3.400 2.700 4.100 4.316 4.196 4.517 0.417 12 0 "[ . 1 . 2 . 3]" 1 2249 1 91 ALA H 1 93 LEU H 4.200 3.400 5.000 4.787 4.250 5.172 0.172 1 0 "[ . 1 . 2 . 3]" 1 2250 1 91 ALA H 1 93 LEU QD 4.600 3.700 5.500 3.950 3.572 4.701 0.128 18 0 "[ . 1 . 2 . 3]" 1 2251 1 91 ALA H 1 145 MET ME 4.400 3.500 5.300 5.909 5.244 6.409 1.109 15 20 "[- * .* **1 ***+ ** * ****** **]" 1 2252 1 91 ALA H 1 149 ALA MB 4.300 3.400 5.200 3.524 3.255 3.882 0.145 7 0 "[ . 1 . 2 . 3]" 1 2253 1 91 ALA HA 1 92 GLY H 4.700 3.800 5.000 3.550 3.486 3.572 0.314 16 0 "[ . 1 . 2 . 3]" 1 2254 1 91 ALA HA 1 93 LEU H 5.100 4.100 6.100 5.709 5.127 6.004 . 0 0 "[ . 1 . 2 . 3]" 1 2255 1 91 ALA HA 1 93 LEU QD 5.700 4.600 6.800 4.579 4.223 5.369 0.377 21 0 "[ . 1 . 2 . 3]" 1 2256 1 91 ALA HA 1 149 ALA H 4.500 3.600 4.600 3.507 2.786 3.809 0.814 28 2 "[ - 1 . 2 . + 3]" 1 2257 1 91 ALA HA 1 149 ALA HA 3.700 3.000 4.400 2.177 1.851 2.943 1.149 12 28 "[***********+*******2 ******-**]" 1 2258 1 91 ALA HA 1 149 ALA MB 3.700 3.200 4.400 2.192 1.799 2.466 1.401 20 30 [*******-***********+**********] 1 2259 1 91 ALA HA 1 150 SER H 5.500 4.400 6.600 5.209 4.794 5.398 . 0 0 "[ . 1 . 2 . 3]" 1 2260 1 91 ALA MB 1 92 GLY H 4.400 3.700 5.300 2.417 2.252 2.814 1.448 8 30 [*******+*******-**************] 1 2261 1 91 ALA MB 1 92 GLY QA 6.000 4.800 7.200 3.794 3.727 3.943 1.073 26 30 [***-*********************+****] 1 2262 1 91 ALA MB 1 92 GLY QA 3.700 3.000 4.400 2.826 2.157 3.254 0.843 5 4 "[ + 1 . -2* . * 3]" 1 2263 1 91 ALA MB 1 93 LEU H 4.400 3.500 4.900 3.574 3.129 3.868 0.371 4 0 "[ . 1 . 2 . 3]" 1 2264 1 91 ALA MB 1 93 LEU QB 5.400 4.300 6.500 4.464 4.191 4.694 0.109 4 0 "[ . 1 . 2 . 3]" 1 2265 1 91 ALA MB 1 124 TYR QE 4.200 3.400 5.000 2.717 2.289 3.265 1.111 29 22 "[** ** ****** .-***2** ****+*]" 1 2266 1 91 ALA MB 1 145 MET ME 3.600 2.900 4.300 3.412 3.033 3.601 . 0 0 "[ . 1 . 2 . 3]" 1 2267 1 91 ALA MB 1 145 MET H 4.300 3.400 5.200 5.192 4.449 5.734 0.534 7 1 "[ . + 1 . 2 . 3]" 1 2268 1 91 ALA MB 1 145 MET ME 4.100 3.300 4.900 4.265 3.580 4.709 . 0 0 "[ . 1 . 2 . 3]" 1 2269 1 91 ALA MB 1 146 THR H 5.100 4.100 6.100 5.096 4.535 5.391 . 0 0 "[ . 1 . 2 . 3]" 1 2270 1 91 ALA MB 1 148 SER H 4.200 3.400 5.000 3.998 3.530 4.432 . 0 0 "[ . 1 . 2 . 3]" 1 2271 1 91 ALA MB 1 149 ALA H 4.300 3.400 5.200 2.817 2.472 3.574 0.928 26 21 "[***-****** ***** **2 ***+ 3]" 1 2272 1 91 ALA MB 1 160 TYR QB 5.200 4.200 6.200 4.835 4.251 5.604 . 0 0 "[ . 1 . 2 . 3]" 1 2273 1 91 ALA MB 1 160 TYR QD 5.100 4.100 6.100 3.867 3.134 4.876 0.966 2 8 "[-+ . * 1 . * 2 * ** *3]" 1 2274 1 92 GLY H 1 93 LEU H . 3.000 3.700 2.551 2.285 2.795 0.715 17 8 "[ * . * 1 * * +* 2 .* -3]" 1 2275 1 92 GLY H 1 93 LEU QB 5.200 4.200 5.500 4.518 4.244 4.830 . 0 0 "[ . 1 . 2 . 3]" 1 2276 1 92 GLY H 1 93 LEU QB 4.500 3.600 5.400 2.919 2.326 3.960 1.274 30 21 "[*** * ** * * * ***-***** **+]" 1 2277 1 92 GLY H 1 93 LEU QD 4.500 3.600 5.400 3.006 2.334 4.267 1.266 30 21 "[*** * ** * * * ***-***** **+]" 1 2278 1 92 GLY H 1 93 LEU QD 4.900 3.900 5.900 2.912 2.329 3.935 1.571 30 21 "[*** * ** * * * ***-***** **+]" 1 2279 1 92 GLY H 1 93 LEU HG 4.400 3.500 5.300 4.592 3.229 5.492 0.271 17 0 "[ . 1 . 2 . 3]" 1 2280 1 92 GLY QA 1 93 LEU H . 3.500 3.600 2.511 2.403 2.664 1.097 28 30 [***-***********************+**] 1 2281 1 92 GLY QA 1 93 LEU QD 5.700 4.600 6.800 3.745 3.323 4.518 1.277 30 21 "[*** * -* * * * ********* **+]" 1 2282 1 93 LEU H 1 93 LEU HA 3.200 2.600 3.800 2.856 2.794 2.915 . 0 0 "[ . 1 . 2 . 3]" 1 2283 1 93 LEU H 1 93 LEU QB 3.900 3.100 4.000 2.353 2.240 2.591 0.860 21 30 [***-****************+*********] 1 2284 1 93 LEU H 1 93 LEU QB 3.000 2.400 3.600 2.031 1.812 2.400 0.588 25 13 "[**- . ** * * * *** + *3]" 1 2285 1 93 LEU H 1 93 LEU QD 4.000 3.200 4.700 2.325 1.884 3.150 1.316 25 21 "[*** * ** * * * ******-+* ***]" 1 2286 1 93 LEU H 1 93 LEU HG 3.700 3.000 3.800 3.243 1.919 3.867 1.081 4 9 "[ +.* *1** -.** 2 . * 3]" 1 2287 1 93 LEU H 1 94 ASP H 3.800 3.200 4.600 4.563 4.462 4.631 0.031 9 0 "[ . 1 . 2 . 3]" 1 2288 1 93 LEU HA 1 93 LEU QD 3.700 3.000 4.100 2.564 2.039 2.918 0.961 16 9 "[ *.* *1** -.+* 2 . * 3]" 1 2289 1 93 LEU HA 1 94 ASP H 3.500 2.800 4.200 2.519 2.383 2.690 0.417 17 0 "[ . 1 . 2 . 3]" 1 2290 1 93 LEU HA 1 94 ASP H 2.700 2.200 3.200 2.258 1.991 2.492 0.209 5 0 "[ . 1 . 2 . 3]" 1 2291 1 93 LEU HA 1 98 PHE QD 4.300 3.400 5.200 4.460 4.221 4.767 . 0 0 "[ . 1 . 2 . 3]" 1 2292 1 93 LEU HA 1 145 MET ME 4.700 3.800 5.600 5.888 5.554 6.057 0.457 6 0 "[ . 1 . 2 . 3]" 1 2293 1 93 LEU QB 1 94 ASP H 3.200 2.600 3.800 2.116 1.825 2.361 0.775 25 13 "[* . 1 * .* ***-** + ***3]" 1 2294 1 93 LEU QB 1 96 ARG H 5.800 4.600 7.000 5.354 5.145 5.587 . 0 0 "[ . 1 . 2 . 3]" 1 2295 1 93 LEU QB 1 97 GLU H 3.900 3.100 4.700 3.952 3.778 4.290 . 0 0 "[ . 1 . 2 . 3]" 1 2296 1 93 LEU QB 1 98 PHE H 3.300 2.600 4.000 3.097 2.852 3.425 . 0 0 "[ . 1 . 2 . 3]" 1 2297 1 93 LEU QB 1 98 PHE HA 3.900 3.100 4.700 3.001 2.620 3.320 0.480 21 0 "[ . 1 . 2 . 3]" 1 2298 1 93 LEU QB 1 98 PHE QB 4.600 3.700 5.200 3.695 3.443 3.922 0.257 21 0 "[ . 1 . 2 . 3]" 1 2299 1 93 LEU QB 1 98 PHE QD 4.100 3.300 4.900 2.872 2.547 3.147 0.753 25 9 "[* *. *1* * . *- + * 3]" 1 2300 1 93 LEU QB 1 98 PHE QE 4.400 3.500 5.300 2.704 2.554 2.857 0.946 9 30 [********+*********-***********] 1 2301 1 93 LEU QB 1 98 PHE HZ 4.500 3.600 5.400 3.113 2.871 3.509 0.729 7 15 "[ * . +*** * *** * 2 **. - **]" 1 2302 1 93 LEU QB 1 99 GLY H 5.000 4.000 6.000 4.728 4.448 4.906 . 0 0 "[ . 1 . 2 . 3]" 1 2303 1 93 LEU QB 1 176 PHE H 4.300 3.400 5.200 3.995 3.781 4.590 . 0 0 "[ . 1 . 2 . 3]" 1 2304 1 93 LEU QB 1 145 MET ME 3.300 2.600 4.000 1.845 1.748 1.989 0.852 6 30 [*****+******-*****************] 1 2305 1 93 LEU QB 1 94 ASP H 4.100 3.300 4.100 2.136 1.831 2.417 1.469 25 30 [****************-*******+*****] 1 2306 1 93 LEU QB 1 97 GLU H 4.300 3.400 5.200 4.221 4.024 4.595 . 0 0 "[ . 1 . 2 . 3]" 1 2307 1 93 LEU QB 1 97 GLU QG 4.500 3.600 5.400 3.371 2.870 3.852 0.730 23 3 "[ - . * 1 . 2 + . 3]" 1 2308 1 93 LEU QB 1 98 PHE H 4.900 3.900 5.900 3.267 3.024 3.611 0.876 21 27 "[************* *- ***+**** ****]" 1 2309 1 93 LEU QB 1 98 PHE QB 4.100 4.100 4.900 4.009 3.710 4.259 0.390 28 0 "[ . 1 . 2 . 3]" 1 2310 1 93 LEU QB 1 98 PHE QE 3.800 3.000 4.600 1.893 1.773 2.271 1.227 10 30 [*********+**************-*****] 1 2311 1 93 LEU QB 1 98 PHE HZ 4.800 3.800 5.800 3.500 3.061 4.128 0.739 7 7 "[ * . + 1 * ** 2 *. -3]" 1 2312 1 93 LEU QB 1 101 VAL QG 5.300 4.200 6.400 4.184 3.759 4.575 0.441 9 0 "[ . 1 . 2 . 3]" 1 2313 1 93 LEU QB 1 145 MET ME 5.100 4.100 6.100 4.145 3.914 4.475 0.186 28 0 "[ . 1 . 2 . 3]" 1 2314 1 93 LEU QD 1 94 ASP H 3.700 3.200 4.400 3.530 3.169 3.843 0.031 16 0 "[ . 1 . 2 . 3]" 1 2315 1 93 LEU QD 1 97 GLU HA 4.400 3.500 5.300 3.620 3.402 3.816 0.098 21 0 "[ . 1 . 2 . 3]" 1 2316 1 93 LEU QD 1 97 GLU QG 4.100 3.700 4.900 3.466 3.072 4.014 0.628 20 3 "[- . *1 . + . 3]" 1 2317 1 93 LEU QD 1 97 GLU QG 3.500 3.000 4.200 1.968 1.682 2.293 1.318 5 30 [***-+*************************] 1 2318 1 93 LEU QD 1 98 PHE H 4.400 3.500 5.300 3.843 3.493 4.252 0.007 21 0 "[ . 1 . 2 . 3]" 1 2319 1 93 LEU QD 1 98 PHE HA 4.200 3.400 4.800 3.175 2.729 3.548 0.671 21 5 "[ . -1* . 2+ * * 3]" 1 2320 1 93 LEU QD 1 98 PHE QB 4.600 3.800 5.500 4.336 4.063 4.596 . 0 0 "[ . 1 . 2 . 3]" 1 2321 1 93 LEU QD 1 98 PHE QD 4.600 3.700 5.500 3.567 3.027 3.947 0.673 9 4 "[ *. +1* . 2 . - 3]" 1 2322 1 93 LEU QD 1 98 PHE QE 4.600 3.700 5.500 2.774 2.577 2.919 1.123 9 30 [********+*********-***********] 1 2323 1 93 LEU QD 1 101 VAL QG 3.500 2.800 4.200 2.436 2.013 2.841 0.787 28 5 "[ . *1 . 2** - + 3]" 1 2324 1 93 LEU QD 1 124 TYR QE 3.800 3.000 4.600 2.566 2.030 2.973 0.970 7 9 "[ -* + 1 ** * 2 *** 3]" 1 2325 1 93 LEU QD 1 140 TYR QD 5.100 4.100 6.100 4.060 3.777 4.266 0.323 4 0 "[ . 1 . 2 . 3]" 1 2326 1 93 LEU QD 1 145 MET H 4.100 3.300 4.900 4.287 3.706 4.847 . 0 0 "[ . 1 . 2 . 3]" 1 2327 1 93 LEU QD 1 145 MET ME 4.000 3.200 4.700 1.847 1.749 1.993 1.451 6 30 [*****+******-*****************] 1 2328 1 93 LEU QD 1 148 SER H 4.400 3.500 5.300 5.344 4.772 5.958 0.658 21 2 "[ . 1 . 2+ - 3]" 1 2329 1 93 LEU QD 1 149 ALA H 5.400 4.300 6.500 5.240 4.785 5.784 . 0 0 "[ . 1 . 2 . 3]" 1 2330 1 93 LEU HG 1 94 ASP H 3.700 3.000 4.400 4.076 3.572 4.891 0.491 4 0 "[ . 1 . 2 . 3]" 1 2331 1 93 LEU HG 1 145 MET ME 3.900 3.100 4.700 3.980 3.711 4.185 . 0 0 "[ . 1 . 2 . 3]" 1 2332 1 94 ASP H 1 94 ASP HA 3.200 2.600 3.800 2.910 2.868 2.944 . 0 0 "[ . 1 . 2 . 3]" 1 2333 1 94 ASP H 1 94 ASP HA 3.700 3.000 4.400 2.875 2.847 2.909 0.153 9 0 "[ . 1 . 2 . 3]" 1 2334 1 94 ASP H 1 94 ASP QB 3.300 2.600 4.000 2.425 2.293 2.807 0.307 14 0 "[ . 1 . 2 . 3]" 1 2335 1 94 ASP H 1 97 GLU QG 4.100 3.300 4.900 2.732 2.147 3.175 1.153 23 17 "[*** * ****-* * ****+ . *3]" 1 2336 1 94 ASP H 1 98 PHE QD 5.300 4.200 6.400 4.233 3.783 4.685 0.417 18 0 "[ . 1 . 2 . 3]" 1 2337 1 94 ASP HA 1 94 ASP QB 3.200 2.600 3.800 2.371 2.179 2.428 0.421 30 0 "[ . 1 . 2 . 3]" 1 2338 1 94 ASP HA 1 95 SER H . 3.000 3.500 2.527 2.392 2.744 0.608 14 13 "[ * .** 1** +** 2 **.*- *3]" 1 2339 1 94 ASP HA 1 96 ARG H 4.200 3.400 5.000 4.521 4.126 4.950 . 0 0 "[ . 1 . 2 . 3]" 1 2340 1 94 ASP HA 1 97 GLU H 4.600 3.700 5.500 4.762 4.592 5.001 . 0 0 "[ . 1 . 2 . 3]" 1 2341 1 94 ASP QB 1 95 SER H 3.100 2.500 3.700 2.372 1.826 3.287 0.674 21 5 "[ . 1 . *+* - * 3]" 1 2342 1 94 ASP QB 1 96 ARG H 4.300 3.400 5.200 2.840 2.537 3.254 0.863 26 16 "[ **** * * ****-2 *.+* **]" 1 2343 1 94 ASP QB 1 96 ARG H 4.100 3.300 4.900 2.822 2.525 3.204 0.775 26 14 "[ *** * * **** 2 *.+* *-]" 1 2344 1 94 ASP QB 1 97 GLU H 4.500 3.600 5.400 2.596 2.337 3.844 1.263 14 29 [*************+**************-3] 1 2345 1 94 ASP QB 1 97 GLU H 4.000 3.200 4.800 2.577 2.329 3.668 0.871 14 29 [*************+**************-3] 1 2346 1 95 SER H 1 95 SER QB 2.800 2.200 3.400 2.423 2.251 2.541 . 0 0 "[ . 1 . 2 . 3]" 1 2347 1 95 SER H 1 96 ARG H 3.400 2.700 4.100 2.736 2.629 2.833 0.071 13 0 "[ . 1 . 2 . 3]" 1 2348 1 95 SER H 1 96 ARG H 3.900 3.100 4.700 2.701 2.597 2.797 0.503 13 1 "[ . 1 + . 2 . 3]" 1 2349 1 95 SER H 1 97 GLU H 3.500 2.800 4.200 2.780 2.668 2.856 0.132 28 0 "[ . 1 . 2 . 3]" 1 2350 1 95 SER H 1 97 GLU QG 4.600 3.700 5.500 5.334 4.647 5.752 0.252 26 0 "[ . 1 . 2 . 3]" 1 2351 1 95 SER H 1 98 PHE QD 4.800 3.800 5.800 4.456 3.986 4.967 . 0 0 "[ . 1 . 2 . 3]" 1 2352 1 95 SER HA 1 96 ARG H 3.900 3.100 4.700 3.532 3.474 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 2353 1 95 SER HA 1 97 GLU H 4.000 3.200 4.800 4.722 4.513 4.904 0.104 27 0 "[ . 1 . 2 . 3]" 1 2354 1 95 SER HA 1 98 PHE H 2.700 2.200 3.200 2.736 2.718 2.759 . 0 0 "[ . 1 . 2 . 3]" 1 2355 1 95 SER HA 1 98 PHE QD 3.500 2.800 4.200 2.453 2.231 2.790 0.569 16 5 "[ .** 1 - .+ 2 *. 3]" 1 2356 1 95 SER HA 1 99 GLY H 3.700 3.000 4.400 3.412 3.355 3.458 . 0 0 "[ . 1 . 2 . 3]" 1 2357 1 95 SER QB 1 96 ARG H 3.400 2.700 4.100 2.830 2.356 3.570 0.344 28 0 "[ . 1 . 2 . 3]" 1 2358 1 95 SER QB 1 98 PHE QB 4.100 3.300 4.900 3.440 3.333 3.548 . 0 0 "[ . 1 . 2 . 3]" 1 2359 1 95 SER QB 1 99 GLY H 3.200 2.600 3.800 2.193 2.187 2.208 0.413 13 0 "[ . 1 . 2 . 3]" 1 2360 1 96 ARG H 1 96 ARG HA 3.200 2.600 3.800 2.854 2.822 2.866 . 0 0 "[ . 1 . 2 . 3]" 1 2361 1 96 ARG H 1 96 ARG HA 3.200 2.600 3.800 2.400 2.372 2.417 0.228 9 0 "[ . 1 . 2 . 3]" 1 2362 1 96 ARG H 1 96 ARG QB 3.800 3.200 4.600 2.428 2.256 2.695 0.944 29 30 [***********************-****+*] 1 2363 1 96 ARG H 1 96 ARG QD 4.000 3.200 4.800 3.930 1.989 4.756 1.211 14 1 "[ . 1 +. 2 . 3]" 1 2364 1 96 ARG H 1 97 GLU QG 4.600 3.700 5.500 4.372 3.919 5.331 . 0 0 "[ . 1 . 2 . 3]" 1 2365 1 96 ARG HA 1 96 ARG QB 3.100 2.500 3.700 2.334 2.173 2.434 0.327 16 0 "[ . 1 . 2 . 3]" 1 2366 1 96 ARG HA 1 97 GLU H 3.200 2.600 3.800 2.682 2.669 2.707 . 0 0 "[ . 1 . 2 . 3]" 1 2367 1 96 ARG HA 1 98 PHE H 3.100 2.500 3.700 3.423 3.362 3.456 . 0 0 "[ . 1 . 2 . 3]" 1 2368 1 96 ARG HA 1 99 GLY H 3.700 3.000 4.400 3.409 3.153 3.582 . 0 0 "[ . 1 . 2 . 3]" 1 2369 1 96 ARG HA 1 100 ILE H 3.500 2.800 4.200 3.380 3.274 3.453 . 0 0 "[ . 1 . 2 . 3]" 1 2370 1 96 ARG HA 1 100 ILE QG . 3.600 3.800 3.097 2.811 3.205 0.789 14 11 "[*** - * *1* +. **2 * 3]" 1 2371 1 96 ARG QB 1 97 GLU H 4.200 3.400 4.900 2.628 2.259 3.462 1.141 29 24 "[******** 1* *** ****** ***-+*]" 1 2372 1 96 ARG QB 1 98 PHE H 3.900 3.100 4.400 4.834 4.523 5.197 0.797 10 8 "[ . *+ * .** 2-* *. 3]" 1 2373 1 96 ARG QB 1 100 ILE MD 3.700 3.000 4.400 3.432 3.045 3.699 . 0 0 "[ . 1 . 2 . 3]" 1 2374 1 96 ARG QB 1 100 ILE QG 4.500 3.600 5.400 3.917 3.417 4.530 0.183 2 0 "[ . 1 . 2 . 3]" 1 2375 1 96 ARG QD 1 201 ASP H 4.100 3.300 4.900 4.934 4.719 5.100 0.200 3 0 "[ . 1 . 2 . 3]" 1 2376 1 97 GLU H 1 97 GLU QG 3.500 2.800 4.000 2.373 1.948 3.420 0.852 23 24 "[ ****************-*2 +*.** **]" 1 2377 1 97 GLU H 1 98 PHE H 2.700 2.200 3.200 2.486 2.404 2.565 . 0 0 "[ . 1 . 2 . 3]" 1 2378 1 97 GLU H 1 98 PHE QB 3.900 3.100 4.700 4.577 4.408 4.694 . 0 0 "[ . 1 . 2 . 3]" 1 2379 1 97 GLU H 1 98 PHE QB 3.800 3.000 4.600 2.557 2.450 2.780 0.550 27 8 "[ * . 1- ** 2 *.*+ *3]" 1 2380 1 97 GLU H 1 98 PHE QD 5.200 4.200 6.200 4.984 4.641 5.275 . 0 0 "[ . 1 . 2 . 3]" 1 2381 1 97 GLU H 1 98 PHE QD 4.900 3.900 5.900 4.170 3.976 4.343 . 0 0 "[ . 1 . 2 . 3]" 1 2382 1 97 GLU H 1 100 ILE H 3.400 2.700 4.100 2.698 2.534 2.775 0.166 1 0 "[ . 1 . 2 . 3]" 1 2383 1 97 GLU H 1 100 ILE MD 4.100 3.700 4.900 4.058 3.804 4.337 . 0 0 "[ . 1 . 2 . 3]" 1 2384 1 97 GLU HA 1 97 GLU QG 3.700 3.000 4.200 2.491 2.363 2.897 0.637 17 23 "[ ***** *******+* 2** *-*****]" 1 2385 1 97 GLU HA 1 98 PHE H 4.300 3.400 5.200 3.553 3.525 3.564 . 0 0 "[ . 1 . 2 . 3]" 1 2386 1 97 GLU HA 1 100 ILE HB 4.100 3.300 4.900 2.943 2.676 3.137 0.624 19 3 "[ - . 1 . +2 .* 3]" 1 2387 1 97 GLU HA 1 100 ILE MD 3.500 2.800 4.200 2.068 1.791 2.307 1.009 11 29 [*********-+******************3] 1 2388 1 97 GLU HA 1 100 ILE MG 4.100 3.300 4.900 4.173 3.900 4.380 . 0 0 "[ . 1 . 2 . 3]" 1 2389 1 97 GLU HA 1 101 VAL H 3.700 3.000 4.400 4.483 4.247 4.591 0.191 3 0 "[ . 1 . 2 . 3]" 1 2390 1 97 GLU HA 1 124 TYR QE 3.600 2.900 4.300 3.400 2.410 3.812 0.490 18 0 "[ . 1 . 2 . 3]" 1 2391 1 97 GLU HA 1 140 TYR QD 4.700 3.800 5.600 2.041 1.799 2.349 2.001 16 30 [***************+******-*******] 1 2392 1 97 GLU QG 1 98 PHE H 3.600 2.900 4.300 4.101 3.853 4.505 0.205 28 0 "[ . 1 . 2 . 3]" 1 2393 1 97 GLU QG 1 100 ILE H 4.600 3.700 5.500 5.547 5.426 5.726 0.226 23 0 "[ . 1 . 2 . 3]" 1 2394 1 97 GLU QG 1 100 ILE MD 4.200 3.400 4.700 3.361 2.953 3.994 0.447 14 0 "[ . 1 . 2 . 3]" 1 2395 1 97 GLU QG 1 100 ILE QG 5.100 4.100 6.100 4.933 4.534 5.317 . 0 0 "[ . 1 . 2 . 3]" 1 2396 1 97 GLU QG 1 110 LEU H 3.900 3.100 4.700 4.752 4.542 5.188 0.488 4 0 "[ . 1 . 2 . 3]" 1 2397 1 98 PHE H 1 98 PHE QB 2.800 2.200 3.400 2.197 2.079 2.299 0.121 28 0 "[ . 1 . 2 . 3]" 1 2398 1 98 PHE H 1 98 PHE QB 3.700 3.000 4.100 2.193 2.077 2.292 0.923 28 30 [***********-***************+**] 1 2399 1 98 PHE H 1 98 PHE QB 2.700 2.200 3.200 2.121 2.027 2.198 0.173 28 0 "[ . 1 . 2 . 3]" 1 2400 1 98 PHE H 1 98 PHE QD 4.200 3.400 4.200 3.007 2.722 3.275 0.678 15 5 "[ * . 1 * + 2 - .* 3]" 1 2401 1 98 PHE H 1 98 PHE QE 5.000 4.000 5.200 4.919 4.619 5.329 0.129 28 0 "[ . 1 . 2 . 3]" 1 2402 1 98 PHE H 1 99 GLY H 3.600 2.900 4.300 2.752 2.635 2.855 0.265 1 0 "[ . 1 . 2 . 3]" 1 2403 1 98 PHE H 1 100 ILE H 3.900 3.100 4.700 3.633 3.524 3.739 . 0 0 "[ . 1 . 2 . 3]" 1 2404 1 98 PHE HA 1 98 PHE QD 3.900 3.100 4.700 2.571 2.364 2.875 0.736 16 18 "[ -*.** **** *.+** 2 ***. * **]" 1 2405 1 98 PHE HA 1 98 PHE QE 4.300 3.400 5.200 4.357 4.287 4.444 . 0 0 "[ . 1 . 2 . 3]" 1 2406 1 98 PHE HA 1 100 ILE H 4.200 3.400 5.000 4.077 3.991 4.193 . 0 0 "[ . 1 . 2 . 3]" 1 2407 1 98 PHE HA 1 100 ILE MD 4.900 3.900 5.900 5.903 5.686 6.012 0.112 8 0 "[ . 1 . 2 . 3]" 1 2408 1 98 PHE HA 1 100 ILE MG 5.300 4.200 6.400 6.005 5.912 6.039 . 0 0 "[ . 1 . 2 . 3]" 1 2409 1 98 PHE HA 1 101 VAL H 3.800 3.000 4.600 3.525 3.387 3.677 . 0 0 "[ . 1 . 2 . 3]" 1 2410 1 98 PHE HA 1 101 VAL QG 3.500 2.800 4.200 2.793 1.978 3.502 0.822 15 10 "[** *. * *1 * -+* 2* . 3]" 1 2411 1 98 PHE HA 1 102 ILE QG 4.600 3.700 4.700 3.583 3.311 3.990 0.389 18 0 "[ . 1 . 2 . 3]" 1 2412 1 98 PHE HA 1 145 MET ME 4.400 3.500 5.300 4.623 4.198 5.142 . 0 0 "[ . 1 . 2 . 3]" 1 2413 1 98 PHE QB 1 98 PHE QE 5.000 4.000 6.000 3.928 3.923 3.936 0.077 1 0 "[ . 1 . 2 . 3]" 1 2414 1 98 PHE QB 1 99 GLY H 3.700 3.000 4.300 2.571 2.459 2.807 0.541 27 7 "[ * . 1 ** 2 -.*+ *3]" 1 2415 1 98 PHE QB 1 100 ILE H 4.500 3.800 5.400 4.493 4.410 4.597 . 0 0 "[ . 1 . 2 . 3]" 1 2416 1 98 PHE QB 1 101 VAL QG 4.200 3.400 5.000 3.740 3.212 4.128 0.188 15 0 "[ . 1 . 2 . 3]" 1 2417 1 98 PHE QB 1 101 VAL QG 3.800 3.000 4.600 2.803 2.415 3.186 0.585 28 2 "[ . - 1 . 2 . + 3]" 1 2418 1 98 PHE QB 1 102 ILE H 4.000 3.200 4.800 4.697 4.426 5.025 0.225 20 0 "[ . 1 . 2 . 3]" 1 2419 1 98 PHE QB 1 102 ILE HB 4.400 3.500 5.300 4.899 4.504 5.426 0.126 20 0 "[ . 1 . 2 . 3]" 1 2420 1 98 PHE QB 1 102 ILE MD 4.000 3.200 4.800 4.219 3.833 4.638 . 0 0 "[ . 1 . 2 . 3]" 1 2421 1 98 PHE QB 1 102 ILE QG 3.900 3.800 4.700 3.237 2.868 3.686 0.932 12 19 "[ **.*** **+ ***** 2 **.*- **]" 1 2422 1 98 PHE QD 1 99 GLY H 4.900 3.900 5.900 4.476 4.323 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 2423 1 98 PHE QD 1 102 ILE MD 4.000 3.200 4.800 3.318 2.875 3.521 0.325 13 0 "[ . 1 . 2 . 3]" 1 2424 1 98 PHE QD 1 102 ILE QG 4.900 3.900 5.200 3.330 2.977 3.628 0.923 13 18 "[* *** * ** +*. ***-* ** * *]" 1 2425 1 98 PHE QD 1 145 MET ME 5.400 4.300 6.500 4.933 4.431 5.700 . 0 0 "[ . 1 . 2 . 3]" 1 2426 1 98 PHE QE 1 102 ILE MD 4.200 3.400 5.000 4.508 3.813 4.815 . 0 0 "[ . 1 . 2 . 3]" 1 2427 1 98 PHE QE 1 145 MET ME 4.400 3.500 5.300 3.382 3.259 3.640 0.241 21 0 "[ . 1 . 2 . 3]" 1 2428 1 99 GLY H 1 100 ILE H 3.800 3.000 4.600 2.711 2.542 2.790 0.458 1 0 "[ . 1 . 2 . 3]" 1 2429 1 99 GLY H 1 100 ILE HB 4.600 3.700 5.500 4.946 4.759 5.048 . 0 0 "[ . 1 . 2 . 3]" 1 2430 1 99 GLY H 1 100 ILE QG 3.900 3.100 4.700 4.205 4.012 4.302 . 0 0 "[ . 1 . 2 . 3]" 1 2431 1 99 GLY H 1 101 VAL H 4.100 3.300 4.900 4.114 4.022 4.245 . 0 0 "[ . 1 . 2 . 3]" 1 2432 1 99 GLY H 1 101 VAL QG 4.300 3.400 5.200 4.782 4.121 5.362 0.162 11 0 "[ . 1 . 2 . 3]" 1 2433 1 99 GLY H 1 102 ILE QG 4.700 3.800 5.600 4.591 4.446 4.860 . 0 0 "[ . 1 . 2 . 3]" 1 2434 1 99 GLY QA 1 100 ILE H . 3.500 4.300 2.806 2.765 2.835 0.735 13 30 [*-**********+*****************] 1 2435 1 99 GLY QA 1 100 ILE H 3.200 2.600 3.800 2.518 2.490 2.534 0.110 13 0 "[ . 1 . 2 . 3]" 1 2436 1 99 GLY QA 1 100 ILE QG 3.800 3.000 4.600 2.371 2.341 2.403 0.659 19 30 [**************-***+***********] 1 2437 1 99 GLY QA 1 101 VAL H 3.200 2.600 3.800 2.699 2.688 2.712 . 0 0 "[ . 1 . 2 . 3]" 1 2438 1 99 GLY QA 1 103 THR H 3.400 2.700 4.100 3.272 3.200 3.340 . 0 0 "[ . 1 . 2 . 3]" 1 2439 1 99 GLY QA 1 101 VAL H 4.300 3.400 5.200 4.257 4.105 4.451 . 0 0 "[ . 1 . 2 . 3]" 1 2440 1 100 ILE H 1 100 ILE HB 2.900 2.300 3.500 2.077 2.028 2.121 0.272 13 0 "[ . 1 . 2 . 3]" 1 2441 1 100 ILE H 1 100 ILE HB 3.600 2.900 4.300 2.222 2.139 2.257 0.761 18 30 [*****-***********+************] 1 2442 1 100 ILE H 1 100 ILE MD 3.500 2.800 4.200 3.520 3.374 3.602 . 0 0 "[ . 1 . 2 . 3]" 1 2443 1 100 ILE H 1 100 ILE MD 3.200 2.600 3.800 2.202 2.125 2.291 0.475 13 0 "[ . 1 . 2 . 3]" 1 2444 1 100 ILE H 1 100 ILE QG 3.800 3.000 4.400 2.244 2.153 2.342 0.847 13 30 [************+******-**********] 1 2445 1 100 ILE H 1 100 ILE MG 3.900 3.100 4.700 3.756 3.743 3.769 . 0 0 "[ . 1 . 2 . 3]" 1 2446 1 100 ILE HA 1 100 ILE HB 3.400 2.700 4.100 2.306 2.278 2.336 0.422 19 0 "[ . 1 . 2 . 3]" 1 2447 1 100 ILE HA 1 100 ILE MD 3.600 2.900 4.300 3.839 3.819 3.869 . 0 0 "[ . 1 . 2 . 3]" 1 2448 1 100 ILE HA 1 100 ILE QG 3.900 3.100 4.700 2.393 2.357 2.431 0.743 19 30 [**************-***+***********] 1 2449 1 100 ILE HA 1 100 ILE MG 3.300 3.200 4.000 2.431 2.383 2.479 0.817 17 30 [****************+**-**********] 1 2450 1 100 ILE HA 1 103 THR MG 4.000 3.200 4.800 2.138 1.974 2.284 1.226 6 30 [*****+***********-************] 1 2451 1 100 ILE HB 1 100 ILE MD 3.700 3.000 4.400 2.293 2.231 2.333 0.769 27 30 [**************-***********+***] 1 2452 1 100 ILE HB 1 100 ILE MG 3.000 2.400 3.600 1.959 1.944 1.968 0.456 29 0 "[ . 1 . 2 . 3]" 1 2453 1 100 ILE HB 1 101 VAL H 3.000 2.400 3.600 2.326 2.179 2.519 0.221 18 0 "[ . 1 . 2 . 3]" 1 2454 1 100 ILE HB 1 102 ILE H 5.100 4.100 6.100 5.028 4.825 5.186 . 0 0 "[ . 1 . 2 . 3]" 1 2455 1 100 ILE HB 1 103 THR MG 4.200 3.400 5.000 4.515 4.388 4.630 . 0 0 "[ . 1 . 2 . 3]" 1 2456 1 100 ILE MD 1 100 ILE MG 3.400 2.700 4.100 1.991 1.937 2.117 0.763 9 30 [********+*****************-***] 1 2457 1 100 ILE MD 1 100 ILE MG 3.100 2.500 3.700 1.966 1.913 2.083 0.587 9 25 "[********+*- **.*********.* * *]" 1 2458 1 100 ILE MD 1 101 VAL H 3.200 2.600 3.800 1.917 1.688 2.066 0.912 12 30 [**-********+******************] 1 2459 1 100 ILE MD 1 140 TYR QD 4.100 3.300 4.900 3.089 2.611 3.783 0.689 28 3 "[ . 1 *. - 2 . + 3]" 1 2460 1 100 ILE MD 1 140 TYR QE 4.700 3.800 5.600 4.827 3.933 5.469 . 0 0 "[ . 1 . 2 . 3]" 1 2461 1 100 ILE MG 1 101 VAL H 3.600 3.000 4.300 3.264 3.066 3.362 . 0 0 "[ . 1 . 2 . 3]" 1 2462 1 100 ILE MG 1 102 ILE H 4.900 3.900 5.900 5.023 4.851 5.168 . 0 0 "[ . 1 . 2 . 3]" 1 2463 1 100 ILE MG 1 103 THR H 5.500 4.400 6.600 5.117 4.962 5.240 . 0 0 "[ . 1 . 2 . 3]" 1 2464 1 100 ILE MG 1 103 THR HB 5.400 4.300 6.500 5.672 5.496 5.777 . 0 0 "[ . 1 . 2 . 3]" 1 2465 1 100 ILE MG 1 104 LEU H 4.200 3.400 5.000 4.397 4.308 4.520 . 0 0 "[ . 1 . 2 . 3]" 1 2466 1 100 ILE MG 1 104 LEU QB 4.200 3.400 5.000 3.530 3.371 3.705 0.029 5 0 "[ . 1 . 2 . 3]" 1 2467 1 100 ILE MG 1 140 TYR QB 5.300 4.900 6.400 5.059 4.636 5.252 0.264 12 0 "[ . 1 . 2 . 3]" 1 2468 1 100 ILE MG 1 140 TYR QD 5.000 4.000 6.000 4.245 3.862 4.434 0.138 4 0 "[ . 1 . 2 . 3]" 1 2469 1 100 ILE MG 1 140 TYR QE 4.300 3.400 5.200 3.251 2.666 3.683 0.734 4 4 "[ +. * * . 2 . - 3]" 1 2470 1 101 VAL H 1 101 VAL QG 3.400 2.700 4.100 1.919 1.689 2.069 1.011 12 30 [**-********+******************] 1 2471 1 101 VAL H 1 102 ILE H 3.400 2.800 4.100 2.646 2.571 2.718 0.229 16 0 "[ . 1 . 2 . 3]" 1 2472 1 101 VAL H 1 102 ILE QG 3.900 3.500 4.700 4.050 3.923 4.182 . 0 0 "[ . 1 . 2 . 3]" 1 2473 1 101 VAL H 1 103 THR H 3.800 3.000 4.600 4.302 4.146 4.484 . 0 0 "[ . 1 . 2 . 3]" 1 2474 1 101 VAL H 1 145 MET ME 5.200 4.200 6.200 4.901 4.442 5.440 . 0 0 "[ . 1 . 2 . 3]" 1 2475 1 101 VAL HA 1 101 VAL HB 3.300 2.600 3.700 2.828 2.318 3.022 0.282 12 0 "[ . 1 . 2 . 3]" 1 2476 1 101 VAL HA 1 101 VAL QG 3.200 2.600 3.800 2.192 2.115 2.440 0.485 8 0 "[ . 1 . 2 . 3]" 1 2477 1 101 VAL HA 1 102 ILE H 4.500 3.600 5.400 3.545 3.505 3.564 0.095 16 0 "[ . 1 . 2 . 3]" 1 2478 1 101 VAL HA 1 102 ILE HA 3.100 2.500 3.700 4.767 4.716 4.807 1.107 17 30 [-***************+*************] 1 2479 1 101 VAL HA 1 104 LEU H 3.700 3.000 4.400 3.205 3.062 3.348 . 0 0 "[ . 1 . 2 . 3]" 1 2480 1 101 VAL HA 1 104 LEU QB 4.400 3.500 5.000 2.732 2.471 3.061 1.029 12 29 "[-* ********+******************]" 1 2481 1 101 VAL HA 1 105 ASN H 3.800 3.000 4.600 4.401 4.233 4.525 . 0 0 "[ . 1 . 2 . 3]" 1 2482 1 101 VAL HA 1 137 LEU HA 3.900 3.600 4.700 5.196 4.770 5.578 0.878 11 15 "[ * -.* *1+ * * * **** *** 3]" 1 2483 1 101 VAL HA 1 137 LEU QD 4.700 3.800 5.600 3.569 3.247 3.850 0.553 1 1 "[+ . 1 . 2 . 3]" 1 2484 1 101 VAL HA 1 140 TYR QB 3.900 3.100 4.700 4.709 4.123 5.004 0.304 9 0 "[ . 1 . 2 . 3]" 1 2485 1 101 VAL HB 1 105 ASN H 3.700 3.000 4.400 5.748 5.143 6.071 1.671 12 30 [***********+***-**************] 1 2486 1 101 VAL HB 1 137 LEU QD 3.600 2.900 4.300 3.508 2.679 4.241 0.221 16 0 "[ . 1 . 2 . 3]" 1 2487 1 101 VAL HB 1 137 LEU QD 4.000 3.200 4.800 3.189 2.646 3.816 0.554 16 1 "[ . 1 .+ 2 . 3]" 1 2488 1 101 VAL HB 1 137 LEU QD 3.400 2.700 4.100 3.300 2.671 4.098 0.029 16 0 "[ . 1 . 2 . 3]" 1 2489 1 101 VAL HB 1 140 TYR QD 4.600 3.700 5.500 5.485 4.112 6.023 0.523 25 5 "[ . 1 * . 2 * +*- 3]" 1 2490 1 101 VAL QG 1 103 THR H 3.400 2.700 4.100 3.301 3.152 3.475 . 0 0 "[ . 1 . 2 . 3]" 1 2491 1 101 VAL QG 1 140 TYR QB 4.100 3.300 4.900 2.606 2.302 3.142 0.998 17 25 "[******** ** **.*+**2***-.*****]" 1 2492 1 101 VAL QG 1 105 ASN QB 4.000 3.200 4.800 2.833 2.413 3.476 0.787 28 6 "[ *. * * . * -2 . + 3]" 1 2493 1 101 VAL QG 1 137 LEU QD 4.600 3.700 5.500 2.439 1.962 3.351 1.738 5 26 "[* * +* * ***********-*********]" 1 2494 1 101 VAL QG 1 170 LEU H 3.500 2.800 4.200 2.553 1.940 2.740 0.860 5 4 "[ +** 1 . 2 . - 3]" 1 2495 1 102 ILE H 1 102 ILE HB 2.900 2.300 3.500 2.583 2.521 2.672 . 0 0 "[ . 1 . 2 . 3]" 1 2496 1 102 ILE H 1 102 ILE HB 3.300 2.600 4.000 2.349 2.256 2.405 0.344 11 0 "[ . 1 . 2 . 3]" 1 2497 1 102 ILE H 1 102 ILE MD 3.600 2.900 4.300 3.141 2.886 3.306 0.014 24 0 "[ . 1 . 2 . 3]" 1 2498 1 102 ILE H 1 102 ILE QG 3.800 3.000 4.400 2.045 1.905 2.207 1.095 27 30 [***************-**********+***] 1 2499 1 102 ILE H 1 102 ILE MG 3.800 3.000 4.600 3.770 3.760 3.781 . 0 0 "[ . 1 . 2 . 3]" 1 2500 1 102 ILE H 1 103 THR H 3.500 2.800 3.800 2.740 2.565 2.874 0.235 16 0 "[ . 1 . 2 . 3]" 1 2501 1 102 ILE H 1 103 THR MG 4.800 3.800 5.800 3.972 3.820 4.160 . 0 0 "[ . 1 . 2 . 3]" 1 2502 1 102 ILE H 1 104 LEU H 4.000 3.200 4.800 4.026 3.887 4.263 . 0 0 "[ . 1 . 2 . 3]" 1 2503 1 102 ILE H 1 105 ASN H 4.300 3.400 5.200 4.960 4.816 5.141 . 0 0 "[ . 1 . 2 . 3]" 1 2504 1 102 ILE HA 1 102 ILE HB 3.800 3.000 4.600 3.019 3.017 3.021 . 0 0 "[ . 1 . 2 . 3]" 1 2505 1 102 ILE HA 1 102 ILE MD 3.400 2.700 4.100 2.039 1.961 2.098 0.739 11 30 [**********+******************-] 1 2506 1 102 ILE HA 1 102 ILE QG 3.800 3.000 3.800 2.951 2.901 3.022 0.099 4 0 "[ . 1 . 2 . 3]" 1 2507 1 102 ILE HA 1 102 ILE MG 3.400 2.700 4.100 2.373 2.322 2.422 0.378 24 0 "[ . 1 . 2 . 3]" 1 2508 1 102 ILE HA 1 104 LEU H 3.200 2.600 3.800 2.767 2.747 2.795 . 0 0 "[ . 1 . 2 . 3]" 1 2509 1 102 ILE HA 1 105 ASN H 3.200 2.600 3.800 3.178 3.091 3.244 . 0 0 "[ . 1 . 2 . 3]" 1 2510 1 102 ILE HA 1 105 ASN H 4.100 3.300 4.900 3.456 3.312 3.569 . 0 0 "[ . 1 . 2 . 3]" 1 2511 1 102 ILE HA 1 105 ASN QB 4.700 3.800 5.600 3.059 2.729 3.439 1.071 1 27 "[+**********-************. * **]" 1 2512 1 102 ILE HA 1 137 LEU QD 4.500 3.600 5.400 4.994 4.721 5.370 . 0 0 "[ . 1 . 2 . 3]" 1 2513 1 102 ILE HB 1 103 THR H . 3.200 3.700 2.492 2.373 2.681 0.827 29 30 [******************-*********+*] 1 2514 1 102 ILE HB 1 103 THR MG 4.100 3.300 4.900 4.361 4.247 4.546 . 0 0 "[ . 1 . 2 . 3]" 1 2515 1 102 ILE MD 1 105 ASN QB 4.900 4.500 5.900 4.055 3.774 4.265 0.726 1 8 "[+** .* 1- .* * 2 * . 3]" 1 2516 1 102 ILE QG 1 102 ILE MG 3.200 2.700 3.800 2.310 2.281 2.334 0.419 7 0 "[ . 1 . 2 . 3]" 1 2517 1 102 ILE QG 1 103 THR H 3.800 3.000 4.600 3.913 3.812 3.995 . 0 0 "[ . 1 . 2 . 3]" 1 2518 1 102 ILE QG 1 103 THR H 3.600 2.900 4.300 3.654 3.596 3.700 . 0 0 "[ . 1 . 2 . 3]" 1 2519 1 102 ILE MG 1 105 ASN H 3.500 2.800 4.200 3.525 2.969 3.640 . 0 0 "[ . 1 . 2 . 3]" 1 2520 1 102 ILE MG 1 105 ASN QB 5.100 4.300 6.100 3.770 3.493 3.988 0.807 6 19 "[*****+*- * **** * * *. * **]" 1 2521 1 102 ILE MG 1 106 THR H 4.000 3.200 4.800 4.297 4.194 4.378 . 0 0 "[ . 1 . 2 . 3]" 1 2522 1 103 THR H 1 103 THR HB 3.000 2.400 3.600 2.503 2.438 2.605 . 0 0 "[ . 1 . 2 . 3]" 1 2523 1 103 THR H 1 103 THR MG 3.500 2.800 4.200 2.230 2.077 2.358 0.723 19 27 "[*********1-****** +**** ******]" 1 2524 1 103 THR H 1 104 LEU H 3.500 2.800 4.200 2.669 2.548 2.741 0.252 12 0 "[ . 1 . 2 . 3]" 1 2525 1 103 THR HA 1 103 THR MG 3.400 3.000 4.100 3.211 3.206 3.214 . 0 0 "[ . 1 . 2 . 3]" 1 2526 1 103 THR HA 1 104 LEU H 4.300 3.400 5.200 3.387 3.324 3.456 0.076 25 0 "[ . 1 . 2 . 3]" 1 2527 1 103 THR HA 1 106 THR H 3.600 2.900 4.300 3.342 3.209 3.464 . 0 0 "[ . 1 . 2 . 3]" 1 2528 1 103 THR HA 1 106 THR MG 4.400 3.500 5.300 3.871 3.619 4.138 . 0 0 "[ . 1 . 2 . 3]" 1 2529 1 103 THR MG 1 104 LEU H 3.800 3.000 4.600 2.176 1.968 2.304 1.032 3 30 [**+*********************-*****] 1 2530 1 103 THR MG 1 104 LEU H 3.700 3.000 4.400 2.176 1.969 2.304 1.031 3 30 [**+*********************-*****] 1 2531 1 103 THR MG 1 104 LEU QB 4.400 3.500 5.300 2.820 2.460 2.926 1.040 4 30 [***+************************-*] 1 2532 1 103 THR MG 1 105 ASN H 3.800 3.000 4.600 3.641 3.368 3.805 . 0 0 "[ . 1 . 2 . 3]" 1 2533 1 104 LEU H 1 104 LEU QB 4.100 3.300 4.900 2.209 2.116 2.235 1.184 28 30 [****************-**********+**] 1 2534 1 104 LEU H 1 104 LEU QB 3.700 3.000 4.400 2.204 2.112 2.229 0.888 28 30 [****************-**********+**] 1 2535 1 104 LEU H 1 104 LEU QD 3.800 3.000 4.600 3.703 3.440 3.756 . 0 0 "[ . 1 . 2 . 3]" 1 2536 1 104 LEU H 1 104 LEU QD 3.500 2.800 4.200 3.509 3.288 3.628 . 0 0 "[ . 1 . 2 . 3]" 1 2537 1 104 LEU H 1 104 LEU QD 3.600 2.900 4.300 3.515 3.333 3.594 . 0 0 "[ . 1 . 2 . 3]" 1 2538 1 104 LEU H 1 104 LEU QD 3.400 2.700 4.100 3.405 3.234 3.461 . 0 0 "[ . 1 . 2 . 3]" 1 2539 1 104 LEU H 1 105 ASN H 3.900 3.100 4.700 2.686 2.565 2.765 0.535 1 1 "[+ . 1 . 2 . 3]" 1 2540 1 104 LEU H 1 105 ASN H 3.300 2.600 4.000 2.740 2.605 2.817 . 0 0 "[ . 1 . 2 . 3]" 1 2541 1 104 LEU H 1 106 THR H 3.400 2.700 4.100 2.726 2.604 2.802 0.096 10 0 "[ . 1 . 2 . 3]" 1 2542 1 104 LEU HA 1 104 LEU QD 3.000 2.400 3.600 2.119 1.854 2.745 0.546 4 5 "[ +. * 1 * . 2 * - 3]" 1 2543 1 104 LEU HA 1 107 VAL H 2.900 2.300 3.500 2.706 2.663 2.733 . 0 0 "[ . 1 . 2 . 3]" 1 2544 1 104 LEU HA 1 108 VAL H 3.700 3.000 4.400 4.436 4.088 4.696 0.296 14 0 "[ . 1 . 2 . 3]" 1 2545 1 104 LEU HA 1 108 VAL QG 4.300 3.400 5.200 3.421 3.259 3.644 0.141 20 0 "[ . 1 . 2 . 3]" 1 2546 1 104 LEU QB 1 104 LEU QD 3.000 2.400 3.600 1.835 1.729 1.972 0.671 3 25 "[**+ ** **** **** *******.*-***]" 1 2547 1 104 LEU QB 1 105 ASN H . 3.300 4.000 2.395 2.168 2.569 1.132 12 30 [***********+**************-***] 1 2548 1 104 LEU QB 1 106 THR H 4.000 3.200 4.800 4.463 4.248 4.680 . 0 0 "[ . 1 . 2 . 3]" 1 2549 1 104 LEU QB 1 107 VAL QG 3.400 2.700 4.100 3.123 2.825 3.385 . 0 0 "[ . 1 . 2 . 3]" 1 2550 1 104 LEU QD 1 107 VAL HB 3.900 3.100 4.700 2.136 1.813 2.550 1.287 17 30 [**-*************+*************] 1 2551 1 104 LEU QD 1 108 VAL H 3.500 2.800 4.200 2.370 2.015 3.035 0.785 6 20 "[** *+ *1- * ** * ******** **]" 1 2552 1 104 LEU QD 1 129 MET ME 3.300 2.600 4.000 2.303 1.929 2.830 0.671 1 4 "[+ . 1 . - 2 . ** 3]" 1 2553 1 104 LEU QD 1 110 LEU HA 3.300 2.600 4.000 1.909 1.805 2.328 0.795 10 27 "[****-****+******* *2****** ***]" 1 2554 1 104 LEU QD 1 116 ALA H 3.600 2.900 4.300 3.010 2.880 3.083 0.020 29 0 "[ . 1 . 2 . 3]" 1 2555 1 104 LEU QD 1 129 MET ME 4.000 3.200 4.800 4.076 3.582 4.727 . 0 0 "[ . 1 . 2 . 3]" 1 2556 1 104 LEU QD 1 133 ALA HA 3.600 2.900 4.300 2.905 2.570 3.112 0.330 28 0 "[ . 1 . 2 . 3]" 1 2557 1 104 LEU QD 1 134 PHE H 3.400 2.700 4.100 4.517 4.213 4.793 0.693 9 8 "[ . -+1* * * 2 ** . * 3]" 1 2558 1 104 LEU QD 1 137 LEU H 3.700 3.000 4.400 2.834 2.502 3.290 0.498 1 0 "[ . 1 . 2 . 3]" 1 2559 1 104 LEU QD 1 138 VAL H 3.500 2.800 4.200 1.830 1.744 1.977 1.056 30 30 [*******-*********************+] 1 2560 1 104 LEU QD 1 138 VAL H 3.500 2.800 4.200 3.736 3.459 4.213 0.013 7 0 "[ . 1 . 2 . 3]" 1 2561 1 104 LEU QD 1 139 TYR H 4.000 3.200 4.800 2.324 2.143 3.264 1.057 9 27 "[******* +**-************* ***3]" 1 2562 1 104 LEU QD 1 139 TYR H 3.800 3.000 4.600 4.280 3.800 4.522 . 0 0 "[ . 1 . 2 . 3]" 1 2563 1 105 ASN H 1 105 ASN HA 3.200 2.600 3.800 2.798 2.772 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 2564 1 105 ASN H 1 105 ASN HA 3.600 2.900 4.300 2.689 2.666 2.711 0.234 16 0 "[ . 1 . 2 . 3]" 1 2565 1 105 ASN H 1 105 ASN QB 3.300 2.600 4.000 2.383 2.270 2.606 0.330 6 0 "[ . 1 . 2 . 3]" 1 2566 1 105 ASN H 1 108 VAL QG 4.800 3.900 5.800 4.221 3.844 4.430 0.056 14 0 "[ . 1 . 2 . 3]" 1 2567 1 105 ASN H 1 108 VAL QG 4.700 3.800 5.600 4.053 3.744 4.229 0.056 14 0 "[ . 1 . 2 . 3]" 1 2568 1 105 ASN H 1 137 LEU QD 4.400 3.500 5.300 3.838 3.464 4.226 0.036 4 0 "[ . 1 . 2 . 3]" 1 2569 1 105 ASN H 1 137 LEU QB 4.100 3.300 4.900 5.240 4.457 5.790 0.890 11 8 "[ * .* *1+ * . * * -. 3]" 1 2570 1 105 ASN H 1 137 LEU QD 3.900 3.100 4.700 3.878 3.482 4.309 . 0 0 "[ . 1 . 2 . 3]" 1 2571 1 105 ASN HA 1 105 ASN QD 4.300 3.400 5.200 2.507 1.959 3.547 1.441 26 28 "[**********-***** ********+* **]" 1 2572 1 105 ASN HA 1 106 THR H 3.200 2.600 3.800 2.700 2.677 2.722 . 0 0 "[ . 1 . 2 . 3]" 1 2573 1 105 ASN HA 1 108 VAL H 3.400 2.700 4.100 3.329 3.069 3.533 . 0 0 "[ . 1 . 2 . 3]" 1 2574 1 105 ASN HA 1 108 VAL QG 4.000 3.200 4.800 2.684 2.048 3.169 1.152 14 14 "[ ***. ** * * +.-* *2 . ** *]" 1 2575 1 105 ASN HA 1 109 MET H 3.300 2.600 4.000 3.378 3.266 3.465 . 0 0 "[ . 1 . 2 . 3]" 1 2576 1 105 ASN HA 1 137 LEU QD 3.600 2.900 4.000 2.069 1.948 2.293 0.952 20 30 [***************-***+**********] 1 2577 1 105 ASN HA 1 137 LEU HG 3.400 2.700 4.100 3.217 3.014 3.496 . 0 0 "[ . 1 . 2 . 3]" 1 2578 1 105 ASN QB 1 106 THR H 3.700 3.000 4.300 2.841 2.585 2.937 0.415 3 0 "[ . 1 . 2 . 3]" 1 2579 1 105 ASN QB 1 108 VAL QG 5.100 4.100 6.100 4.103 3.638 4.557 0.462 14 0 "[ . 1 . 2 . 3]" 1 2580 1 105 ASN QB 1 137 LEU QD 4.800 3.800 5.800 2.619 2.429 2.858 1.371 2 30 [*+-***************************] 1 2581 1 105 ASN QD 1 106 THR H 4.200 3.400 5.000 4.062 3.958 4.439 . 0 0 "[ . 1 . 2 . 3]" 1 2582 1 105 ASN QD 1 109 MET ME 5.400 4.300 6.500 4.621 2.877 5.095 1.423 6 2 "[ - .+ 1 . 2 . 3]" 1 2583 1 106 THR H 1 106 THR HB 3.200 2.600 3.800 2.596 2.507 2.673 0.093 1 0 "[ . 1 . 2 . 3]" 1 2584 1 106 THR H 1 106 THR HB 3.800 3.000 4.600 2.190 2.106 2.368 0.894 2 30 [*+*******-********************] 1 2585 1 106 THR H 1 106 THR MG 3.800 3.000 4.600 3.770 3.762 3.778 . 0 0 "[ . 1 . 2 . 3]" 1 2586 1 106 THR H 1 106 THR MG 4.000 3.200 4.800 3.109 2.953 3.311 0.247 2 0 "[ . 1 . 2 . 3]" 1 2587 1 106 THR H 1 107 VAL QG 4.000 3.200 4.800 3.746 3.573 3.914 . 0 0 "[ . 1 . 2 . 3]" 1 2588 1 106 THR H 1 108 VAL H 4.300 3.400 5.200 3.982 3.905 4.138 . 0 0 "[ . 1 . 2 . 3]" 1 2589 1 106 THR H 1 108 VAL QG 4.700 3.800 5.600 4.534 4.257 4.708 . 0 0 "[ . 1 . 2 . 3]" 1 2590 1 106 THR HA 1 106 THR MG 3.500 2.800 4.200 2.378 2.338 2.434 0.462 6 0 "[ . 1 . 2 . 3]" 1 2591 1 106 THR HA 1 110 LEU H 3.200 2.600 3.800 2.788 2.749 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 2592 1 106 THR HB 1 107 VAL H 3.300 2.600 4.000 2.366 2.241 2.652 0.359 16 0 "[ . 1 . 2 . 3]" 1 2593 1 106 THR MG 1 107 VAL H 3.600 2.900 4.300 3.293 3.064 3.606 . 0 0 "[ . 1 . 2 . 3]" 1 2594 1 106 THR MG 1 107 VAL HA 4.400 3.500 5.300 3.426 3.186 3.741 0.314 2 0 "[ . 1 . 2 . 3]" 1 2595 1 106 THR MG 1 109 MET H 4.300 3.400 5.200 4.950 4.645 5.475 0.275 6 0 "[ . 1 . 2 . 3]" 1 2596 1 106 THR MG 1 110 LEU H 4.300 3.400 5.200 4.274 3.991 4.602 . 0 0 "[ . 1 . 2 . 3]" 1 2597 1 106 THR MG 1 110 LEU QB 4.200 3.400 5.000 3.406 3.300 3.507 0.100 7 0 "[ . 1 . 2 . 3]" 1 2598 1 106 THR MG 1 110 LEU QD 3.400 2.700 4.100 3.353 1.952 3.728 0.748 22 2 "[ . 1 . 2 + . -3]" 1 2599 1 107 VAL H 1 107 VAL HA 3.800 3.000 4.600 2.817 2.786 2.850 0.214 2 0 "[ . 1 . 2 . 3]" 1 2600 1 107 VAL H 1 107 VAL HB 3.700 3.000 4.400 2.692 2.492 3.005 0.508 2 2 "[ + . 1 . 2- . 3]" 1 2601 1 107 VAL H 1 107 VAL QG 3.000 2.400 3.600 1.940 1.695 2.196 0.705 19 10 "[ **. ** - * *. * +2 . * 3]" 1 2602 1 107 VAL H 1 107 VAL QG 3.700 3.000 4.400 1.944 1.696 2.204 1.304 19 30 [*-****************+***********] 1 2603 1 107 VAL H 1 108 VAL H 3.300 2.600 3.700 2.639 2.499 2.717 0.101 19 0 "[ . 1 . 2 . 3]" 1 2604 1 107 VAL H 1 108 VAL QG 4.800 3.800 5.800 3.966 3.602 4.143 0.198 14 0 "[ . 1 . 2 . 3]" 1 2605 1 107 VAL H 1 108 VAL QG 3.000 2.400 3.600 2.219 2.111 2.232 0.289 19 0 "[ . 1 . 2 . 3]" 1 2606 1 107 VAL HA 1 107 VAL QG 3.500 2.900 4.200 2.235 2.106 2.323 0.794 4 30 [***+********************-*****] 1 2607 1 107 VAL HA 1 108 VAL H 3.200 2.600 3.800 3.517 3.497 3.544 . 0 0 "[ . 1 . 2 . 3]" 1 2608 1 107 VAL HA 1 109 MET H 3.700 3.000 4.400 4.656 4.363 4.953 0.553 6 1 "[ .+ 1 . 2 . 3]" 1 2609 1 107 VAL HA 1 110 LEU H 3.500 2.800 4.200 3.514 3.216 3.746 . 0 0 "[ . 1 . 2 . 3]" 1 2610 1 107 VAL HA 1 110 LEU QB 3.800 3.000 4.600 2.576 2.167 3.004 0.833 27 11 "[** . 1 * . * * ** .-+ **]" 1 2611 1 107 VAL HB 1 108 VAL H 3.200 2.600 3.800 3.535 2.565 4.014 0.214 1 0 "[ . 1 . 2 . 3]" 1 2612 1 107 VAL HB 1 108 VAL QG 4.500 3.600 5.400 3.278 2.773 3.694 0.827 4 10 "[ *+. ** * * *. * -2 . * 3]" 1 2613 1 107 VAL HB 1 133 ALA MB 4.200 3.400 5.000 5.065 3.241 6.040 1.040 26 20 "[** ** *1* * ** * ******+- **]" 1 2614 1 107 VAL QG 1 108 VAL H 3.500 2.800 4.200 2.428 2.028 3.205 0.772 6 20 "[** *+ *1- * ** * ******** **]" 1 2615 1 107 VAL QG 1 108 VAL QG 4.000 3.400 4.800 2.638 2.150 3.624 1.250 25 20 "[** ** *1* * ** * *****+*- **]" 1 2616 1 107 VAL QG 1 109 MET H 4.100 3.300 4.900 4.399 4.098 4.957 0.057 28 0 "[ . 1 . 2 . 3]" 1 2617 1 107 VAL QG 1 129 MET HA 3.300 2.600 4.000 2.939 2.704 3.127 . 0 0 "[ . 1 . 2 . 3]" 1 2618 1 107 VAL QG 1 129 MET ME 4.400 3.500 5.300 2.310 1.935 2.843 1.565 1 30 [+******-**********************] 1 2619 1 107 VAL QG 1 133 ALA H 3.300 2.600 4.000 3.116 3.050 3.143 . 0 0 "[ . 1 . 2 . 3]" 1 2620 1 108 VAL H 1 108 VAL HA 3.200 2.600 3.800 2.808 2.780 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 2621 1 108 VAL H 1 108 VAL HB 3.000 2.400 3.600 2.489 2.415 2.610 . 0 0 "[ . 1 . 2 . 3]" 1 2622 1 108 VAL H 1 108 VAL QG . 3.700 3.800 2.104 1.857 2.268 1.843 14 30 [*************+*****-**********] 1 2623 1 108 VAL H 1 109 MET H 3.300 2.700 4.000 2.768 2.656 2.882 0.044 4 0 "[ . 1 . 2 . 3]" 1 2624 1 108 VAL H 1 110 LEU H 4.000 3.200 4.800 3.985 3.784 4.379 . 0 0 "[ . 1 . 2 . 3]" 1 2625 1 108 VAL H 1 111 ALA H 4.000 3.200 4.800 4.728 4.560 4.916 0.116 12 0 "[ . 1 . 2 . 3]" 1 2626 1 108 VAL H 1 133 ALA MB 3.600 2.900 4.300 4.288 3.787 4.570 0.270 22 0 "[ . 1 . 2 . 3]" 1 2627 1 108 VAL HA 1 108 VAL QG 3.800 3.100 4.600 2.106 2.075 2.120 1.025 7 30 [******+*******-***************] 1 2628 1 108 VAL HA 1 109 MET H 3.500 2.800 4.200 3.559 3.528 3.584 . 0 0 "[ . 1 . 2 . 3]" 1 2629 1 108 VAL HA 1 112 GLY H 3.900 3.100 4.700 4.548 4.324 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 2630 1 108 VAL HA 1 130 GLY H 3.000 2.400 3.600 5.233 4.965 5.670 2.070 27 30 [********************-*****+***] 1 2631 1 108 VAL HA 1 133 ALA MB 3.900 3.100 4.700 3.283 3.003 3.454 0.097 10 0 "[ . 1 . 2 . 3]" 1 2632 1 108 VAL HB 1 109 MET H 3.100 2.500 3.700 2.419 2.236 2.654 0.264 16 0 "[ . 1 . 2 . 3]" 1 2633 1 108 VAL HB 1 109 MET ME 3.800 3.000 4.600 2.921 1.835 3.407 1.165 3 7 "[ *+ . ** 1 *. - *2 . 3]" 1 2634 1 108 VAL QG 1 109 MET H 4.400 3.500 4.800 3.018 2.856 3.210 0.644 1 13 "[+* ** -1 .* * * ** * **3]" 1 2635 1 108 VAL QG 1 109 MET H 3.500 2.800 4.200 2.620 2.069 3.016 0.731 7 2 "[ . + -1 . 2 . 3]" 1 2636 1 108 VAL QG 1 109 MET HA 5.600 4.500 6.700 3.231 3.063 3.501 1.437 1 30 [+************-****************] 1 2637 1 108 VAL QG 1 109 MET ME 4.100 3.300 4.600 2.771 2.117 3.144 1.183 4 16 "[***+. ***1 * ** ***2 * . * -3]" 1 2638 1 108 VAL QG 1 110 LEU H 5.300 4.200 6.400 4.462 4.250 4.800 . 0 0 "[ . 1 . 2 . 3]" 1 2639 1 108 VAL QG 1 111 ALA H 5.300 4.200 6.400 4.292 4.165 4.561 0.035 22 0 "[ . 1 . 2 . 3]" 1 2640 1 108 VAL QG 1 112 GLY H 4.700 3.800 5.600 4.153 4.063 4.232 . 0 0 "[ . 1 . 2 . 3]" 1 2641 1 108 VAL QG 1 130 GLY H 5.000 4.000 6.000 4.761 4.287 5.311 . 0 0 "[ . 1 . 2 . 3]" 1 2642 1 108 VAL QG 1 131 ALA H 5.300 4.200 6.400 4.931 4.576 5.310 . 0 0 "[ . 1 . 2 . 3]" 1 2643 1 108 VAL QG 1 133 ALA H 4.600 3.700 5.500 4.170 3.994 4.530 . 0 0 "[ . 1 . 2 . 3]" 1 2644 1 108 VAL QG 1 133 ALA H 3.300 2.600 4.000 3.824 3.594 4.049 0.049 4 0 "[ . 1 . 2 . 3]" 1 2645 1 108 VAL QG 1 133 ALA MB 4.400 3.500 5.300 1.913 1.794 2.322 1.706 16 30 [***-***********+**************] 1 2646 1 108 VAL QG 1 134 PHE H 4.100 3.300 4.900 3.479 3.209 3.678 0.091 28 0 "[ . 1 . 2 . 3]" 1 2647 1 108 VAL QG 1 134 PHE H 2.900 2.300 3.500 3.284 3.019 3.443 . 0 0 "[ . 1 . 2 . 3]" 1 2648 1 108 VAL QG 1 134 PHE QD 4.800 3.800 5.800 3.455 2.962 4.136 0.838 7 8 "[* *. + 1 * -. *2 *. *3]" 1 2649 1 108 VAL QG 1 137 LEU H 4.900 3.900 5.900 4.539 4.194 4.759 . 0 0 "[ . 1 . 2 . 3]" 1 2650 1 108 VAL QG 1 137 LEU QB 5.400 4.300 6.500 3.500 3.079 3.866 1.221 4 28 "[***+.*****-************** ****]" 1 2651 1 108 VAL QG 1 171 TRP HE3 6.200 5.000 7.400 3.705 3.019 4.130 1.981 20 30 [**********-********+**********] 1 2652 1 109 MET H 1 109 MET HA 3.200 2.600 3.800 2.813 2.783 2.847 . 0 0 "[ . 1 . 2 . 3]" 1 2653 1 109 MET H 1 109 MET ME 3.500 2.800 4.200 2.908 2.104 3.755 0.696 7 2 "[ . + -1 . 2 . 3]" 1 2654 1 109 MET H 1 110 LEU H 3.300 3.000 4.000 2.634 2.477 2.784 0.523 27 1 "[ . 1 . 2 . + 3]" 1 2655 1 109 MET H 1 110 LEU QB 4.100 3.300 4.900 4.383 4.193 4.522 . 0 0 "[ . 1 . 2 . 3]" 1 2656 1 109 MET H 1 111 ALA H 4.900 3.900 5.900 4.074 3.931 4.195 . 0 0 "[ . 1 . 2 . 3]" 1 2657 1 109 MET HA 1 109 MET ME 4.900 3.900 5.900 3.258 2.625 4.237 1.275 25 19 "[* ** * *1* * .*-* *****+* **3]" 1 2658 1 109 MET HA 1 110 LEU H 3.700 3.000 4.400 3.503 3.446 3.549 . 0 0 "[ . 1 . 2 . 3]" 1 2659 1 109 MET HA 1 112 GLY H 4.000 3.200 4.800 3.531 3.295 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 2660 1 109 MET ME 1 171 TRP HE3 5.800 4.600 7.000 5.922 4.114 6.090 0.486 6 0 "[ . 1 . 2 . 3]" 1 2661 1 109 MET ME 1 171 TRP HH2 6.200 5.000 7.400 4.998 3.302 5.306 1.698 6 1 "[ .+ 1 . 2 . 3]" 1 2662 1 110 LEU H 1 110 LEU QB 3.500 2.800 4.200 2.221 2.122 2.259 0.678 2 30 [*+******-*********************] 1 2663 1 110 LEU H 1 110 LEU QB 3.100 2.500 3.700 2.213 2.116 2.249 0.384 2 0 "[ . 1 . 2 . 3]" 1 2664 1 110 LEU H 1 110 LEU QD 3.700 3.000 4.000 3.630 3.433 3.706 . 0 0 "[ . 1 . 2 . 3]" 1 2665 1 110 LEU H 1 110 LEU HG 3.600 2.900 4.300 4.379 3.066 4.548 0.248 19 0 "[ . 1 . 2 . 3]" 1 2666 1 110 LEU H 1 111 ALA H 3.700 3.000 3.800 2.559 2.419 2.694 0.581 13 6 "[- . *1 + . 2 * .* *3]" 1 2667 1 110 LEU H 1 112 GLY H 4.200 3.400 4.900 4.415 4.133 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 2668 1 110 LEU H 1 113 PHE H 4.500 3.600 5.400 4.734 4.533 4.883 . 0 0 "[ . 1 . 2 . 3]" 1 2669 1 110 LEU HA 1 110 LEU QD 3.400 2.700 4.100 2.055 1.887 3.152 0.813 19 27 "[***************** +2*-**** ***]" 1 2670 1 110 LEU HA 1 111 ALA H 4.400 3.500 4.600 3.500 3.485 3.531 0.015 11 0 "[ . 1 . 2 . 3]" 1 2671 1 110 LEU HA 1 112 GLY H 4.100 3.300 4.900 4.658 4.252 4.825 . 0 0 "[ . 1 . 2 . 3]" 1 2672 1 110 LEU HA 1 113 PHE QD 4.800 3.800 5.800 3.698 2.986 4.368 0.814 9 4 "[ . +1 * . 2 *.- 3]" 1 2673 1 110 LEU HA 1 114 ALA H 3.700 3.000 4.400 3.969 3.494 4.405 0.005 6 0 "[ . 1 . 2 . 3]" 1 2674 1 110 LEU HA 1 114 ALA MB 4.700 3.800 5.600 4.831 4.315 5.319 . 0 0 "[ . 1 . 2 . 3]" 1 2675 1 110 LEU QB 1 111 ALA H 3.700 3.000 4.400 2.734 2.599 2.869 0.401 17 0 "[ . 1 . 2 . 3]" 1 2676 1 110 LEU QB 1 111 ALA H 3.100 2.500 3.700 2.139 2.109 2.167 0.391 17 0 "[ . 1 . 2 . 3]" 1 2677 1 110 LEU QB 1 111 ALA HA 4.200 3.400 5.000 3.696 3.590 3.813 . 0 0 "[ . 1 . 2 . 3]" 1 2678 1 110 LEU QD 1 111 ALA H 3.800 3.000 4.600 3.981 2.636 4.261 0.364 20 0 "[ . 1 . 2 . 3]" 1 2679 1 110 LEU QD 1 113 PHE H 4.000 3.200 4.800 4.499 4.277 4.910 0.110 13 0 "[ . 1 . 2 . 3]" 1 2680 1 110 LEU QD 1 113 PHE QD 4.900 3.900 5.900 3.610 2.163 5.359 1.737 9 10 "[ * .* +1 * . *2 * *.* -*3]" 1 2681 1 110 LEU QD 1 114 ALA H 3.900 3.100 4.700 3.340 3.049 3.602 0.051 9 0 "[ . 1 . 2 . 3]" 1 2682 1 110 LEU QD 1 114 ALA MB 3.200 2.600 3.800 1.961 1.700 2.600 0.900 10 23 "[**-*. * *+ ******* 2** *******]" 1 2683 1 110 LEU HG 1 111 ALA H 3.900 3.100 4.700 4.281 3.970 4.918 0.218 2 0 "[ . 1 . 2 . 3]" 1 2684 1 110 LEU HG 1 114 ALA H 4.300 3.400 5.200 4.482 3.894 6.060 0.860 2 3 "[ + . 1 . 2 - . *3]" 1 2685 1 111 ALA H 1 111 ALA HA 3.500 2.800 4.200 2.777 2.752 2.805 0.048 20 0 "[ . 1 . 2 . 3]" 1 2686 1 111 ALA H 1 111 ALA MB 3.300 2.600 4.000 2.230 2.206 2.240 0.394 4 0 "[ . 1 . 2 . 3]" 1 2687 1 111 ALA H 1 112 GLY H 3.200 2.600 3.800 2.737 2.608 2.834 . 0 0 "[ . 1 . 2 . 3]" 1 2688 1 111 ALA H 1 113 PHE H 3.700 3.000 4.400 3.397 3.277 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 2689 1 111 ALA H 1 114 ALA H 3.500 2.800 4.200 2.589 2.491 2.703 0.309 13 0 "[ . 1 . 2 . 3]" 1 2690 1 111 ALA HA 1 112 GLY H 3.100 2.500 3.700 3.566 3.533 3.580 . 0 0 "[ . 1 . 2 . 3]" 1 2691 1 111 ALA HA 1 113 PHE H 3.500 2.800 4.200 4.454 4.210 4.759 0.559 13 1 "[ . 1 + . 2 . 3]" 1 2692 1 111 ALA HA 1 114 ALA H 3.500 2.800 4.200 3.817 3.653 3.996 . 0 0 "[ . 1 . 2 . 3]" 1 2693 1 111 ALA HA 1 114 ALA MB 4.000 3.200 4.800 3.695 3.306 4.089 . 0 0 "[ . 1 . 2 . 3]" 1 2694 1 111 ALA HA 1 114 ALA MB 3.600 2.900 4.300 3.285 3.089 3.417 . 0 0 "[ . 1 . 2 . 3]" 1 2695 1 111 ALA HA 1 115 GLY H 3.200 2.600 3.800 2.188 2.181 2.199 0.419 8 0 "[ . 1 . 2 . 3]" 1 2696 1 111 ALA HA 1 126 LEU QD 3.400 2.700 4.100 1.901 1.748 2.025 0.952 5 30 [****+**************-**********] 1 2697 1 111 ALA MB 1 112 GLY H 3.500 2.800 4.200 2.301 2.173 2.480 0.627 4 17 "[- *+* * **** * * *2 * **** 3]" 1 2698 1 111 ALA MB 1 115 GLY H 4.400 3.500 5.300 4.158 4.095 4.220 . 0 0 "[ . 1 . 2 . 3]" 1 2699 1 111 ALA MB 1 127 PHE HA 5.100 4.100 6.100 3.047 2.610 3.449 1.490 14 30 [*****-*******+****************] 1 2700 1 111 ALA MB 1 129 MET H 3.600 2.900 4.300 3.020 2.844 3.208 0.056 14 0 "[ . 1 . 2 . 3]" 1 2701 1 111 ALA MB 1 129 MET ME 4.900 3.900 5.900 1.894 1.793 1.994 2.107 28 30 [-**************************+**] 1 2702 1 111 ALA MB 1 129 MET QG 4.600 3.700 5.500 4.015 2.387 4.646 1.313 27 5 "[- . * 1 . * 2 * . + 3]" 1 2703 1 111 ALA MB 1 130 GLY H 3.600 2.900 4.300 3.082 2.883 3.304 0.017 14 0 "[ . 1 . 2 . 3]" 1 2704 1 112 GLY H 1 113 PHE H 3.500 2.800 4.200 2.661 2.455 2.786 0.345 2 0 "[ . 1 . 2 . 3]" 1 2705 1 112 GLY H 1 113 PHE QB 4.000 3.200 4.800 4.344 4.160 4.456 . 0 0 "[ . 1 . 2 . 3]" 1 2706 1 112 GLY H 1 114 ALA H 3.700 3.000 4.400 4.852 4.538 5.114 0.714 4 10 "[ +- ** 1 *. * *2 *.* * 3]" 1 2707 1 112 GLY H 1 115 GLY H 4.600 3.700 5.500 4.599 4.439 4.727 . 0 0 "[ . 1 . 2 . 3]" 1 2708 1 113 PHE H 1 113 PHE QB 3.000 2.400 3.600 2.173 2.122 2.236 0.278 16 0 "[ . 1 . 2 . 3]" 1 2709 1 113 PHE H 1 113 PHE QD 4.400 3.500 5.300 4.120 4.078 4.174 . 0 0 "[ . 1 . 2 . 3]" 1 2710 1 113 PHE H 1 114 ALA H 3.300 2.700 4.000 3.075 2.986 3.179 . 0 0 "[ . 1 . 2 . 3]" 1 2711 1 113 PHE H 1 114 ALA MB 4.600 3.700 4.700 4.674 4.600 4.733 0.033 15 0 "[ . 1 . 2 . 3]" 1 2712 1 113 PHE H 1 115 GLY H 4.400 3.500 5.300 3.694 3.574 3.961 . 0 0 "[ . 1 . 2 . 3]" 1 2713 1 113 PHE HA 1 113 PHE QD 3.600 2.900 4.300 2.862 2.059 3.161 0.841 9 2 "[ . +1 - . 2 . 3]" 1 2714 1 113 PHE HA 1 113 PHE QE 4.600 3.700 5.400 4.557 4.398 4.707 . 0 0 "[ . 1 . 2 . 3]" 1 2715 1 113 PHE HA 1 114 ALA H . 3.600 4.400 3.553 3.535 3.571 0.065 24 0 "[ . 1 . 2 . 3]" 1 2716 1 113 PHE HA 1 116 ALA H 5.100 4.100 6.100 4.191 4.001 4.312 0.099 12 0 "[ . 1 . 2 . 3]" 1 2717 1 113 PHE HA 1 116 ALA H 3.900 3.100 4.700 3.345 3.298 3.369 . 0 0 "[ . 1 . 2 . 3]" 1 2718 1 113 PHE HA 1 116 ALA MB 3.900 3.900 4.700 4.205 3.961 4.345 . 0 0 "[ . 1 . 2 . 3]" 1 2719 1 113 PHE QB 1 113 PHE QE 5.200 4.200 6.200 3.941 3.927 3.966 0.273 3 0 "[ . 1 . 2 . 3]" 1 2720 1 113 PHE QB 1 114 ALA H 3.300 2.600 4.000 1.913 1.723 2.225 0.877 24 29 "[********-*** **********+******]" 1 2721 1 113 PHE QB 1 114 ALA MB 4.600 3.700 5.500 3.390 3.318 3.618 0.382 4 0 "[ . 1 . 2 . 3]" 1 2722 1 113 PHE QB 1 115 GLY H 4.300 3.400 5.200 4.033 3.871 4.201 . 0 0 "[ . 1 . 2 . 3]" 1 2723 1 113 PHE QD 1 114 ALA H 4.700 3.800 4.900 3.315 2.970 3.812 0.830 23 16 "[ ** * * 1* ** -* 2**+ * * **]" 1 2724 1 113 PHE QD 1 116 ALA H 5.600 4.500 6.700 5.139 4.943 5.314 . 0 0 "[ . 1 . 2 . 3]" 1 2725 1 113 PHE QD 1 116 ALA MB 4.900 3.900 5.900 4.947 4.468 5.255 . 0 0 "[ . 1 . 2 . 3]" 1 2726 1 113 PHE QE 1 116 ALA MB 5.200 4.200 6.200 5.933 5.572 6.062 . 0 0 "[ . 1 . 2 . 3]" 1 2727 1 113 PHE QE 1 117 MET ME 4.000 3.800 4.800 2.119 1.812 3.236 1.988 7 30 [******+****************-******] 1 2728 1 114 ALA H 1 114 ALA HA 3.700 3.000 3.800 2.821 2.788 2.851 0.212 8 0 "[ . 1 . 2 . 3]" 1 2729 1 114 ALA H 1 114 ALA MB 3.400 2.700 4.000 2.236 2.226 2.250 0.474 7 0 "[ . 1 . 2 . 3]" 1 2730 1 114 ALA H 1 115 GLY H 3.800 3.000 4.600 2.596 2.498 2.712 0.502 13 1 "[ . 1 + . 2 . 3]" 1 2731 1 114 ALA H 1 126 LEU QB 4.300 3.400 5.200 4.968 4.585 5.700 0.500 5 0 "[ . 1 . 2 . 3]" 1 2732 1 114 ALA HA 1 115 GLY H . 3.800 4.300 3.442 3.382 3.499 0.418 14 0 "[ . 1 . 2 . 3]" 1 2733 1 114 ALA HA 1 116 ALA H 4.300 3.400 5.200 4.304 3.961 4.497 . 0 0 "[ . 1 . 2 . 3]" 1 2734 1 114 ALA HA 1 117 MET H . 3.600 3.800 3.097 2.947 3.234 0.653 15 15 "[** * ** - + 2** *.*****]" 1 2735 1 114 ALA HA 1 117 MET ME 4.100 3.300 4.900 4.457 3.686 5.032 0.132 23 0 "[ . 1 . 2 . 3]" 1 2736 1 114 ALA MB 1 115 GLY H 3.700 3.000 4.400 2.930 2.765 3.103 0.235 6 0 "[ . 1 . 2 . 3]" 1 2737 1 114 ALA MB 1 117 MET H 3.700 3.000 4.400 4.236 4.115 4.467 0.067 3 0 "[ . 1 . 2 . 3]" 1 2738 1 114 ALA MB 1 126 LEU QB 4.100 3.300 4.900 3.725 3.326 4.032 . 0 0 "[ . 1 . 2 . 3]" 1 2739 1 115 GLY H 1 116 ALA H 3.600 3.000 4.300 2.863 2.696 2.969 0.304 14 0 "[ . 1 . 2 . 3]" 1 2740 1 115 GLY H 1 117 MET H 3.800 3.000 4.600 3.865 3.731 4.434 . 0 0 "[ . 1 . 2 . 3]" 1 2741 1 115 GLY H 1 118 VAL QG 4.400 3.500 5.300 4.076 3.786 4.474 . 0 0 "[ . 1 . 2 . 3]" 1 2742 1 115 GLY H 1 126 LEU QB 3.900 3.100 4.700 3.590 2.904 5.003 0.303 5 0 "[ . 1 . 2 . 3]" 1 2743 1 115 GLY H 1 126 LEU QD 3.800 3.000 4.600 3.074 2.604 3.376 0.396 2 0 "[ . 1 . 2 . 3]" 1 2744 1 115 GLY QA 1 116 ALA H 3.800 3.000 4.600 2.610 2.563 2.727 0.437 9 0 "[ . 1 . 2 . 3]" 1 2745 1 115 GLY QA 1 117 MET H 3.600 2.900 4.300 3.798 3.671 4.344 0.044 3 0 "[ . 1 . 2 . 3]" 1 2746 1 115 GLY QA 1 127 PHE H 4.000 3.200 4.800 4.063 3.796 4.773 . 0 0 "[ . 1 . 2 . 3]" 1 2747 1 115 GLY QA 1 127 PHE HA 5.300 4.200 6.400 5.038 4.646 5.267 . 0 0 "[ . 1 . 2 . 3]" 1 2748 1 115 GLY QA 1 178 TRP HE1 3.300 2.600 4.000 3.790 3.629 3.872 . 0 0 "[ . 1 . 2 . 3]" 1 2749 1 115 GLY QA 1 178 TRP HZ2 4.400 3.500 5.300 1.897 1.831 2.024 1.669 20 30 [************-******+**********] 1 2750 1 116 ALA H 1 116 ALA HA 3.200 2.600 3.800 2.497 2.469 2.513 0.131 23 0 "[ . 1 . 2 . 3]" 1 2751 1 116 ALA H 1 116 ALA MB 3.500 2.800 4.200 2.256 2.230 2.266 0.570 12 30 [***********+**********-*******] 1 2752 1 116 ALA H 1 117 MET H 3.000 2.400 3.600 2.462 2.417 2.561 . 0 0 "[ . 1 . 2 . 3]" 1 2753 1 116 ALA H 1 117 MET H 3.600 2.900 4.300 2.322 2.237 2.469 0.663 24 28 "[** *-**************2***+******]" 1 2754 1 116 ALA H 1 126 LEU QD 3.700 3.000 4.400 4.636 4.308 4.988 0.588 6 3 "[ .+ - 1 . *2 . 3]" 1 2755 1 116 ALA H 1 134 PHE QB 4.000 3.200 4.800 4.327 4.271 4.427 . 0 0 "[ . 1 . 2 . 3]" 1 2756 1 116 ALA H 1 178 TRP HE1 3.400 2.700 4.100 3.262 2.790 3.761 . 0 0 "[ . 1 . 2 . 3]" 1 2757 1 116 ALA H 1 178 TRP HZ2 4.300 3.400 5.200 2.868 2.587 3.240 0.813 9 19 "[ * *.***+-* * *****2 *** **3]" 1 2758 1 116 ALA HA 1 117 MET H 3.300 2.600 4.000 3.426 3.388 3.557 . 0 0 "[ . 1 . 2 . 3]" 1 2759 1 116 ALA HA 1 117 MET H 4.000 3.200 4.800 3.051 2.955 3.172 0.245 4 0 "[ . 1 . 2 . 3]" 1 2760 1 116 ALA HA 1 118 VAL MG2 3.400 2.700 4.100 3.338 3.119 3.482 . 0 0 "[ . 1 . 2 . 3]" 1 2761 1 116 ALA HA 1 178 TRP HE1 3.200 2.600 3.800 4.422 3.977 4.827 1.027 9 20 "[***-* +*** *** * 2 * ******]" 1 2762 1 116 ALA HA 1 178 TRP HZ2 4.700 3.800 5.600 3.430 3.242 3.728 0.558 4 4 "[ +.*-* 1 . 2 . 3]" 1 2763 1 116 ALA MB 1 117 MET H 3.500 2.800 4.200 2.976 2.505 3.077 0.295 3 0 "[ . 1 . 2 . 3]" 1 2764 1 116 ALA MB 1 117 MET H 3.800 3.000 4.600 2.797 2.473 2.924 0.527 3 1 "[ + . 1 . 2 . 3]" 1 2765 1 116 ALA MB 1 178 TRP HD1 4.700 3.800 5.600 4.373 3.720 4.813 0.080 6 0 "[ . 1 . 2 . 3]" 1 2766 1 116 ALA MB 1 178 TRP HE1 3.200 2.600 3.800 2.726 2.183 3.118 0.417 6 0 "[ . 1 . 2 . 3]" 1 2767 1 116 ALA MB 1 178 TRP HZ2 4.900 3.900 5.900 3.451 3.241 3.816 0.659 9 15 "[ *.***+1* * *- **2 *** * 3]" 1 2768 1 117 MET H 1 117 MET HA 3.200 2.600 3.800 2.911 2.867 2.941 . 0 0 "[ . 1 . 2 . 3]" 1 2769 1 117 MET H 1 117 MET ME 3.800 3.000 4.400 4.351 3.556 4.791 0.391 2 0 "[ . 1 . 2 . 3]" 1 2770 1 117 MET H 1 118 VAL QG 3.500 2.800 4.200 3.295 3.173 3.587 . 0 0 "[ . 1 . 2 . 3]" 1 2771 1 117 MET HA 1 117 MET ME 3.800 3.000 4.600 4.003 2.770 4.617 0.230 24 0 "[ . 1 . 2 . 3]" 1 2772 1 117 MET HA 1 118 VAL H 3.600 2.900 4.300 3.102 3.055 3.328 . 0 0 "[ . 1 . 2 . 3]" 1 2773 1 118 VAL H 1 118 VAL HA 3.200 2.600 3.800 2.861 2.771 2.950 . 0 0 "[ . 1 . 2 . 3]" 1 2774 1 118 VAL H 1 118 VAL HB . 3.000 3.200 3.647 3.609 3.819 0.619 15 2 "[ . 1 + - 2 . 3]" 1 2775 1 118 VAL H 1 118 VAL QG 3.400 2.700 3.500 1.867 1.808 1.998 0.892 6 30 [*****+********-***************] 1 2776 1 118 VAL HA 1 118 VAL QG 3.800 3.000 4.600 2.274 2.187 2.344 0.813 3 30 [**+***********-***************] 1 2777 1 118 VAL HA 1 118 VAL QG 3.500 2.800 4.200 2.256 2.173 2.326 0.627 3 25 "[**+***** ** *.******** **-***]" 1 2778 1 118 VAL HA 1 120 GLY H 3.200 2.600 3.800 2.427 2.366 2.471 0.234 10 0 "[ . 1 . 2 . 3]" 1 2779 1 118 VAL HB 1 120 GLY QA 3.000 2.400 3.600 4.329 4.215 4.498 0.898 18 30 [*****************+*-**********] 1 2780 1 118 VAL HB 1 123 ARG H 3.600 2.900 4.300 3.233 3.024 3.846 . 0 0 "[ . 1 . 2 . 3]" 1 2781 1 118 VAL QG 1 120 GLY H 3.800 3.000 4.600 2.753 2.340 3.081 0.660 18 3 "[ * . 1 - + 2 . 3]" 1 2782 1 118 VAL QG 1 122 GLU H 4.200 3.400 5.000 3.169 2.968 3.341 0.432 8 0 "[ . 1 . 2 . 3]" 1 2783 1 118 VAL QG 1 123 ARG H 3.700 3.000 4.400 2.001 1.805 2.187 1.195 11 30 [**********+********-**********] 1 2784 1 118 VAL MG1 1 120 GLY H 3.500 2.800 4.200 4.133 3.955 4.300 0.100 15 0 "[ . 1 . 2 . 3]" 1 2785 1 120 GLY H 1 120 GLY QA 3.200 2.600 3.800 2.454 2.392 2.501 0.208 10 0 "[ . 1 . 2 . 3]" 1 2786 1 120 GLY H 1 121 ILE H 4.000 3.200 4.600 3.770 3.384 4.267 . 0 0 "[ . 1 . 2 . 3]" 1 2787 1 120 GLY H 1 122 GLU H 4.900 3.900 5.000 3.325 2.906 3.616 0.994 3 19 "[ + -* * 1** .* ********** **]" 1 2788 1 120 GLY H 1 133 ALA MB 5.000 4.000 6.000 4.368 4.333 4.447 . 0 0 "[ . 1 . 2 . 3]" 1 2789 1 120 GLY QA 1 121 ILE H 3.400 2.700 4.100 2.127 2.105 2.213 0.595 23 29 [**************.**-****+*******] 1 2790 1 120 GLY QA 1 121 ILE H 3.200 2.600 3.800 2.075 1.979 2.146 0.621 18 28 "[*******- *****.**+************]" 1 2791 1 120 GLY QA 1 121 ILE MG 3.300 2.600 4.000 2.263 2.182 2.340 0.418 17 0 "[ . 1 . 2 . 3]" 1 2792 1 120 GLY QA 1 123 ARG H 3.200 2.600 3.800 2.593 2.574 2.684 0.026 10 0 "[ . 1 . 2 . 3]" 1 2793 1 120 GLY QA 1 121 ILE MG 4.300 3.400 5.200 3.517 3.209 4.978 0.191 1 0 "[ . 1 . 2 . 3]" 1 2794 1 120 GLY QA 1 122 GLU H 3.700 3.000 4.400 3.366 2.960 3.614 0.040 15 0 "[ . 1 . 2 . 3]" 1 2795 1 120 GLY QA 1 122 GLU H 3.200 2.600 3.800 2.670 2.557 2.725 0.043 15 0 "[ . 1 . 2 . 3]" 1 2796 1 121 ILE H 1 121 ILE HB 3.400 2.700 4.000 3.682 2.650 3.839 0.050 15 0 "[ . 1 . 2 . 3]" 1 2797 1 121 ILE H 1 121 ILE MD 4.200 3.400 5.000 3.442 2.401 3.962 0.999 6 8 "[ .+ -1 * ** 2 . * **]" 1 2798 1 121 ILE H 1 121 ILE QG 3.700 3.100 4.300 2.057 1.703 3.076 1.397 9 29 "[-*******+******** ************]" 1 2799 1 121 ILE H 1 121 ILE MG 3.400 3.200 4.100 2.882 2.294 4.006 0.906 3 7 "[ + . * 1 . * ***- 3]" 1 2800 1 121 ILE H 1 122 GLU H 3.900 3.100 4.200 2.391 2.007 3.399 1.093 1 26 "[+* **** ********* *-*********3]" 1 2801 1 121 ILE H 1 123 ARG H 4.800 3.800 5.200 4.477 3.507 4.814 0.293 18 0 "[ . 1 . 2 . 3]" 1 2802 1 121 ILE H 1 124 TYR QD 5.400 4.300 6.500 5.569 4.033 5.880 0.267 18 0 "[ . 1 . 2 . 3]" 1 2803 1 121 ILE HA 1 121 ILE HB 3.200 2.600 3.800 2.520 2.435 2.964 0.165 25 0 "[ . 1 . 2 . 3]" 1 2804 1 121 ILE HA 1 121 ILE MD 3.600 2.900 4.300 3.915 2.096 4.184 0.804 18 2 "[ . 1 - + 2 . 3]" 1 2805 1 121 ILE HA 1 121 ILE QG 3.900 3.100 4.400 3.308 3.091 3.388 0.009 18 0 "[ . 1 . 2 . 3]" 1 2806 1 121 ILE HA 1 121 ILE MG 4.000 3.200 4.800 2.296 2.201 2.387 0.999 17 30 [****************+*****-*******] 1 2807 1 121 ILE HA 1 124 TYR QD 4.000 3.200 4.800 3.603 2.062 3.959 1.138 18 2 "[ . 1 - + 2 . 3]" 1 2808 1 121 ILE HA 1 123 ARG H 4.000 3.200 4.800 3.091 3.042 3.396 0.158 10 0 "[ . 1 . 2 . 3]" 1 2809 1 121 ILE HB 1 121 ILE MD 3.400 2.700 4.100 2.418 2.269 3.225 0.431 9 0 "[ . 1 . 2 . 3]" 1 2810 1 121 ILE HB 1 121 ILE QG 3.200 2.600 3.700 2.393 2.180 2.464 0.420 15 0 "[ . 1 . 2 . 3]" 1 2811 1 121 ILE HB 1 122 GLU H 3.600 2.900 4.300 4.264 2.494 4.411 0.406 18 0 "[ . 1 . 2 . 3]" 1 2812 1 121 ILE HB 1 124 TYR H 4.400 3.500 5.300 4.333 4.148 5.451 0.151 18 0 "[ . 1 . 2 . 3]" 1 2813 1 121 ILE HB 1 124 TYR QD 4.400 3.700 5.300 2.518 2.076 4.543 1.624 24 28 "[-*************.** *****+******]" 1 2814 1 121 ILE HB 1 124 TYR QE 5.000 4.000 6.000 2.597 2.167 5.289 1.833 28 28 "[****-*********.** *********+**]" 1 2815 1 121 ILE MD 1 122 GLU QG 4.100 3.300 4.900 4.628 2.941 5.429 0.529 18 1 "[ . 1 . + 2 . 3]" 1 2816 1 121 ILE MD 1 124 TYR QB 5.600 4.500 6.700 4.455 3.763 4.836 0.737 9 2 "[ . +1 . 2 . - 3]" 1 2817 1 121 ILE MD 1 124 TYR QD 4.300 3.400 5.200 3.229 2.875 3.883 0.525 9 1 "[ . +1 . 2 . 3]" 1 2818 1 121 ILE QG 1 121 ILE MG 3.200 2.600 3.500 2.225 2.085 2.309 0.515 27 4 "[ .- *1 . 2 . + *]" 1 2819 1 121 ILE QG 1 122 GLU H 3.900 3.100 4.200 3.424 3.169 4.258 0.058 15 0 "[ . 1 . 2 . 3]" 1 2820 1 121 ILE QG 1 122 GLU HA 3.700 3.000 4.400 2.999 2.727 3.302 0.273 21 0 "[ . 1 . 2 . 3]" 1 2821 1 121 ILE QG 1 124 TYR QD 4.200 3.400 5.000 3.915 3.549 4.600 . 0 0 "[ . 1 . 2 . 3]" 1 2822 1 121 ILE QG 1 124 TYR QE 4.800 3.900 5.800 4.348 3.963 5.083 . 0 0 "[ . 1 . 2 . 3]" 1 2823 1 121 ILE MG 1 122 GLU H 3.800 3.000 4.600 4.275 3.552 4.408 . 0 0 "[ . 1 . 2 . 3]" 1 2824 1 121 ILE MG 1 124 TYR QD 4.500 3.600 5.400 3.738 2.263 4.182 1.337 15 2 "[ . 1 + - 2 . 3]" 1 2825 1 121 ILE MG 1 124 TYR QE 4.600 3.700 5.500 2.712 2.146 3.406 1.554 30 29 "[****-************ ***********+]" 1 2826 1 122 GLU H 1 122 GLU QB 3.000 2.400 3.600 2.460 2.364 2.588 0.036 20 0 "[ . 1 . 2 . 3]" 1 2827 1 122 GLU H 1 122 GLU QG 3.500 2.800 4.200 2.147 1.900 2.342 0.900 22 28 "[******************-2*+ *******]" 1 2828 1 122 GLU H 1 123 ARG H 3.800 3.000 4.600 2.638 2.506 2.680 0.494 30 0 "[ . 1 . 2 . 3]" 1 2829 1 122 GLU H 1 123 ARG H 3.700 3.000 4.400 2.622 2.494 2.664 0.506 30 1 "[ . 1 . 2 . +]" 1 2830 1 122 GLU H 1 124 TYR QD 5.100 4.100 6.100 5.398 4.365 5.699 . 0 0 "[ . 1 . 2 . 3]" 1 2831 1 122 GLU HA 1 125 ALA H 3.600 2.900 4.300 3.011 2.893 3.173 0.007 21 0 "[ . 1 . 2 . 3]" 1 2832 1 122 GLU QB 1 123 ARG H 3.300 2.600 4.000 3.019 2.629 3.074 . 0 0 "[ . 1 . 2 . 3]" 1 2833 1 122 GLU QB 1 125 ALA H 3.800 3.000 4.600 4.072 3.396 4.358 . 0 0 "[ . 1 . 2 . 3]" 1 2834 1 122 GLU QB 1 125 ALA MB 3.500 2.800 4.200 3.100 2.846 3.506 . 0 0 "[ . 1 . 2 . 3]" 1 2835 1 122 GLU QB 1 126 LEU H 3.100 2.500 3.700 2.234 1.903 2.333 0.597 5 1 "[ + 1 . 2 . 3]" 1 2836 1 122 GLU QG 1 123 ARG H 4.000 3.300 4.800 4.200 3.940 4.324 . 0 0 "[ . 1 . 2 . 3]" 1 2837 1 123 ARG H 1 123 ARG QD 3.900 3.100 4.700 3.612 1.985 3.992 1.115 8 1 "[ . + 1 . 2 . 3]" 1 2838 1 123 ARG H 1 124 TYR QD 4.200 3.400 5.000 2.976 2.059 3.145 1.341 15 6 "[ * - ** * + 2 . 3]" 1 2839 1 123 ARG H 1 126 LEU H 4.000 3.200 4.800 4.171 4.060 4.298 . 0 0 "[ . 1 . 2 . 3]" 1 2840 1 123 ARG H 1 124 TYR QD 4.400 3.500 5.300 4.779 3.721 5.046 . 0 0 "[ . 1 . 2 . 3]" 1 2841 1 123 ARG H 1 126 LEU H 4.400 3.500 5.300 5.095 4.978 5.216 . 0 0 "[ . 1 . 2 . 3]" 1 2842 1 123 ARG HA 1 125 ALA H 3.200 2.600 3.800 2.808 2.789 2.822 . 0 0 "[ . 1 . 2 . 3]" 1 2843 1 123 ARG HA 1 126 LEU H 3.200 2.600 3.800 3.196 2.990 3.301 . 0 0 "[ . 1 . 2 . 3]" 1 2844 1 123 ARG HA 1 127 PHE H 3.600 2.900 4.300 3.725 3.516 3.980 . 0 0 "[ . 1 . 2 . 3]" 1 2845 1 123 ARG HA 1 126 LEU QD 2.900 2.300 3.500 2.362 1.735 2.853 0.565 1 2 "[+ - 1 . 2 . 3]" 1 2846 1 123 ARG QD 1 124 TYR QE 4.100 3.300 4.900 3.286 2.579 3.422 0.721 15 1 "[ . 1 + 2 . 3]" 1 2847 1 124 TYR H 1 124 TYR QB 3.200 2.600 3.800 2.461 2.376 2.524 0.224 5 0 "[ . 1 . 2 . 3]" 1 2848 1 124 TYR H 1 124 TYR QD 3.300 2.600 4.000 3.006 2.069 3.180 0.531 15 1 "[ . 1 + 2 . 3]" 1 2849 1 124 TYR H 1 124 TYR QE 3.800 3.000 4.600 4.448 4.137 4.548 . 0 0 "[ . 1 . 2 . 3]" 1 2850 1 124 TYR H 1 125 ALA H 3.400 2.700 4.100 2.583 2.443 2.796 0.257 21 0 "[ . 1 . 2 . 3]" 1 2851 1 124 TYR H 1 178 TRP HH2 5.100 4.100 6.100 4.725 4.402 4.873 . 0 0 "[ . 1 . 2 . 3]" 1 2852 1 124 TYR HA 1 126 LEU H 3.200 2.600 3.800 2.755 2.735 2.770 . 0 0 "[ . 1 . 2 . 3]" 1 2853 1 124 TYR HA 1 127 PHE H 3.600 2.900 4.300 3.307 3.248 3.373 . 0 0 "[ . 1 . 2 . 3]" 1 2854 1 124 TYR HA 1 178 TRP HZ3 4.500 3.600 5.400 3.118 2.913 3.338 0.687 8 14 "[ *** +** ***** 2 .**- 3]" 1 2855 1 124 TYR QB 1 125 ALA H . 4.100 4.700 2.757 2.701 2.820 1.399 2 30 [*+**-*************************] 1 2856 1 124 TYR QB 1 125 ALA H 3.800 3.000 4.600 2.744 2.691 2.795 0.309 2 0 "[ . 1 . 2 . 3]" 1 2857 1 124 TYR QB 1 125 ALA H 5.100 4.100 6.100 2.757 2.701 2.820 1.399 2 30 [*+**-*************************] 1 2858 1 124 TYR QB 1 126 LEU H 3.900 3.100 4.700 5.040 4.925 5.164 0.464 5 0 "[ . 1 . 2 . 3]" 1 2859 1 124 TYR QB 1 126 LEU H 3.900 3.100 4.700 4.290 4.234 4.352 . 0 0 "[ . 1 . 2 . 3]" 1 2860 1 124 TYR QB 1 128 GLY H 3.900 3.100 4.700 2.734 2.578 2.859 0.522 5 1 "[ + 1 . 2 . 3]" 1 2861 1 124 TYR QD 1 125 ALA H 4.800 3.800 5.200 4.371 4.077 4.462 . 0 0 "[ . 1 . 2 . 3]" 1 2862 1 124 TYR QD 1 127 PHE H 4.500 3.600 5.400 5.832 5.614 6.037 0.637 15 7 "[ * - ** * + * . 3]" 1 2863 1 124 TYR QD 1 127 PHE QD 6.700 5.400 8.000 4.232 3.868 4.648 1.532 18 30 [*****-***********+************] 1 2864 1 124 TYR QD 1 128 GLY H 5.200 4.200 6.200 5.738 5.472 5.950 . 0 0 "[ . 1 . 2 . 3]" 1 2865 1 124 TYR QD 1 178 TRP HZ3 5.400 4.300 5.400 4.255 4.019 4.924 0.281 27 0 "[ . 1 . 2 . 3]" 1 2866 1 124 TYR QD 1 179 LEU QD 4.400 3.900 5.300 2.872 2.282 3.432 1.618 5 29 [****+-*************2**********] 1 2867 1 124 TYR QE 1 178 TRP HH2 5.100 4.100 6.100 4.178 4.157 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 2868 1 124 TYR QE 1 179 LEU QD 3.500 2.900 4.200 2.471 2.056 2.819 0.844 7 10 "[ * + * -** * 2 *** 3]" 1 2869 1 124 TYR QE 1 178 TRP HH2 4.300 3.400 5.200 6.017 5.768 6.052 0.852 3 30 [**+*-*************************] 1 2870 1 124 TYR QE 1 178 TRP HZ3 4.400 3.500 5.300 4.984 4.651 5.288 . 0 0 "[ . 1 . 2 . 3]" 1 2871 1 125 ALA H 1 125 ALA HA 3.300 2.600 4.000 2.854 2.834 2.868 . 0 0 "[ . 1 . 2 . 3]" 1 2872 1 125 ALA H 1 125 ALA HA 3.300 2.600 4.000 2.661 2.620 2.685 . 0 0 "[ . 1 . 2 . 3]" 1 2873 1 125 ALA H 1 125 ALA MB 3.300 2.600 4.000 2.246 2.224 2.259 0.376 22 0 "[ . 1 . 2 . 3]" 1 2874 1 125 ALA H 1 125 ALA MB 3.000 2.400 3.600 2.111 2.082 2.145 0.318 29 0 "[ . 1 . 2 . 3]" 1 2875 1 125 ALA H 1 126 LEU H 3.400 2.700 4.100 2.659 2.578 2.713 0.122 1 0 "[ . 1 . 2 . 3]" 1 2876 1 125 ALA H 1 126 LEU H 3.000 2.400 3.600 2.651 2.571 2.704 . 0 0 "[ . 1 . 2 . 3]" 1 2877 1 125 ALA H 1 126 LEU QD 4.200 3.400 5.000 3.714 3.359 4.051 0.041 1 0 "[ . 1 . 2 . 3]" 1 2878 1 125 ALA H 1 127 PHE QB 4.600 3.700 5.500 2.273 2.256 2.290 1.444 15 30 [**************+*********-*****] 1 2879 1 125 ALA H 1 127 PHE QB 4.300 3.400 5.200 5.013 4.595 5.271 0.071 11 0 "[ . 1 . 2 . 3]" 1 2880 1 125 ALA H 1 128 GLY H 5.000 4.000 6.000 4.438 4.311 4.586 . 0 0 "[ . 1 . 2 . 3]" 1 2881 1 125 ALA HA 1 125 ALA MB 2.600 2.100 3.100 1.893 1.891 1.895 0.209 28 0 "[ . 1 . 2 . 3]" 1 2882 1 125 ALA HA 1 126 LEU H 4.100 3.300 4.900 3.563 3.552 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 2883 1 125 ALA HA 1 128 GLY H 3.800 3.000 4.600 3.445 3.319 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 2884 1 125 ALA MB 1 126 LEU H 3.500 2.800 4.100 2.285 2.134 2.409 0.666 5 15 "[ *+ * * ***.*** **- *. * 3]" 1 2885 1 125 ALA MB 1 128 GLY H 4.600 3.700 5.500 4.484 4.349 4.636 . 0 0 "[ . 1 . 2 . 3]" 1 2886 1 126 LEU H 1 126 LEU QD 3.700 3.000 4.000 2.190 1.857 2.570 1.143 1 23 "[+***.* **** * * * *- *********]" 1 2887 1 126 LEU H 1 127 PHE H 3.300 2.600 4.000 2.870 2.729 2.951 . 0 0 "[ . 1 . 2 . 3]" 1 2888 1 126 LEU H 1 127 PHE QB 4.000 3.200 4.800 4.649 4.530 4.755 . 0 0 "[ . 1 . 2 . 3]" 1 2889 1 126 LEU H 1 127 PHE QB 5.100 4.100 6.100 3.475 3.326 3.579 0.774 20 30 [*******************+*-********] 1 2890 1 126 LEU H 1 128 GLY H 4.000 3.300 4.800 4.032 3.835 4.228 . 0 0 "[ . 1 . 2 . 3]" 1 2891 1 126 LEU HA 1 126 LEU HG 3.100 2.500 3.700 2.494 2.290 2.953 0.210 29 0 "[ . 1 . 2 . 3]" 1 2892 1 126 LEU HA 1 127 PHE H 3.900 3.100 4.700 3.290 3.188 3.358 . 0 0 "[ . 1 . 2 . 3]" 1 2893 1 126 LEU HA 1 129 MET QG 4.000 3.200 4.800 5.206 3.684 5.580 0.780 30 23 "[ ***.* ****** ** ****- *** **+]" 1 2894 1 126 LEU QB 1 127 PHE H 3.600 2.900 4.300 2.354 2.131 2.516 0.769 5 23 "[*** +*-**** * * ***** ***** *]" 1 2895 1 126 LEU QB 1 127 PHE HA 5.200 4.200 6.200 3.812 3.715 4.173 0.485 3 0 "[ . 1 . 2 . 3]" 1 2896 1 126 LEU QB 1 128 GLY H 4.300 3.400 5.200 4.496 4.275 5.171 . 0 0 "[ . 1 . 2 . 3]" 1 2897 1 126 LEU QD 1 127 PHE H 3.600 3.000 4.300 3.662 2.571 3.864 0.429 5 0 "[ . 1 . 2 . 3]" 1 2898 1 127 PHE H 1 127 PHE HA 3.200 2.600 3.800 2.794 2.782 2.814 . 0 0 "[ . 1 . 2 . 3]" 1 2899 1 127 PHE H 1 127 PHE HA 3.800 3.000 4.600 2.514 2.473 2.547 0.527 8 6 "[* . + 1 . -*2 .** 3]" 1 2900 1 127 PHE H 1 127 PHE QD 4.400 3.500 4.400 4.193 4.174 4.203 . 0 0 "[ . 1 . 2 . 3]" 1 2901 1 127 PHE H 1 128 GLY H 3.600 2.900 4.300 2.628 2.561 2.695 0.339 4 0 "[ . 1 . 2 . 3]" 1 2902 1 127 PHE H 1 128 GLY H 3.300 2.600 4.000 2.413 2.367 2.451 0.233 5 0 "[ . 1 . 2 . 3]" 1 2903 1 127 PHE H 1 128 GLY QA 4.000 3.200 4.800 4.488 4.430 4.547 . 0 0 "[ . 1 . 2 . 3]" 1 2904 1 127 PHE HA 1 127 PHE QD 4.500 3.600 5.400 2.027 1.921 2.102 1.679 3 30 [**+***********-***************] 1 2905 1 127 PHE HA 1 127 PHE QD 4.300 3.400 5.200 2.021 1.918 2.095 1.482 3 30 [**+***********-***************] 1 2906 1 127 PHE HA 1 127 PHE QE 5.100 4.100 6.100 4.361 4.259 4.418 . 0 0 "[ . 1 . 2 . 3]" 1 2907 1 127 PHE HA 1 128 GLY H 4.800 3.800 5.800 3.529 3.488 3.551 0.312 1 0 "[ . 1 . 2 . 3]" 1 2908 1 127 PHE HA 1 128 GLY H 3.200 2.600 3.800 2.179 2.176 2.184 0.424 17 0 "[ . 1 . 2 . 3]" 1 2909 1 127 PHE HA 1 128 GLY QA 5.100 4.100 6.100 4.522 4.506 4.529 . 0 0 "[ . 1 . 2 . 3]" 1 2910 1 127 PHE HA 1 129 MET H 3.600 2.900 4.300 2.603 2.544 2.678 0.356 23 0 "[ . 1 . 2 . 3]" 1 2911 1 127 PHE HA 1 131 ALA H 5.200 4.200 6.200 4.000 3.814 4.126 0.386 19 0 "[ . 1 . 2 . 3]" 1 2912 1 127 PHE QB 1 128 GLY H . 4.000 4.800 2.752 2.590 2.881 1.410 5 30 [****+*****************-*******] 1 2913 1 127 PHE QD 1 128 GLY H . 3.900 4.800 4.237 4.075 4.353 . 0 0 "[ . 1 . 2 . 3]" 1 2914 1 127 PHE QD 1 131 ALA H 4.900 3.900 5.900 3.428 3.138 3.678 0.762 19 12 "[ - . * * * *.** +2 ** * *3]" 1 2915 1 127 PHE QD 1 131 ALA MB 5.600 4.500 6.200 3.633 3.372 3.905 1.128 16 30 [***************+**********-***] 1 2916 1 127 PHE QD 1 178 TRP HE3 4.700 3.800 5.600 3.499 3.192 3.763 0.608 1 4 "[+* . 1 . 2 * . -3]" 1 2917 1 127 PHE QD 1 179 LEU QD 4.300 3.400 5.200 2.016 1.866 2.805 1.534 8 30 [*******+***********-**********] 1 2918 1 127 PHE QD 1 179 LEU QD 5.800 4.600 7.000 2.167 1.919 3.021 2.681 2 30 [*+*****************-**********] 1 2919 1 127 PHE QE 1 131 ALA MB 5.100 4.100 6.100 3.024 2.687 3.241 1.413 19 30 [****-*************+***********] 1 2920 1 127 PHE QE 1 178 TRP H 4.400 3.500 5.300 5.860 5.579 6.027 0.727 6 20 "[ * .+** **** ** ***-* *** * *]" 1 2921 1 127 PHE QE 1 178 TRP HE3 5.100 4.100 6.100 3.806 3.230 4.302 0.870 5 4 "[* + 1 *. 2 -. 3]" 1 2922 1 127 PHE QE 1 179 LEU H 5.000 4.000 5.000 4.455 4.007 4.892 . 0 0 "[ . 1 . 2 . 3]" 1 2923 1 127 PHE QE 1 179 LEU QD 4.100 3.300 4.800 2.481 2.103 3.071 1.197 21 26 "[******* ******.*****+* *.**-**]" 1 2924 1 128 GLY H 1 128 GLY QA 3.300 2.600 4.000 2.200 2.198 2.205 0.402 17 0 "[ . 1 . 2 . 3]" 1 2925 1 128 GLY H 1 129 MET H 3.700 3.000 4.400 2.876 2.771 2.966 0.229 5 0 "[ . 1 . 2 . 3]" 1 2926 1 128 GLY H 1 130 GLY H 4.000 3.200 4.800 3.998 3.748 4.230 . 0 0 "[ . 1 . 2 . 3]" 1 2927 1 128 GLY H 1 131 ALA H 4.500 3.600 5.400 4.778 4.694 4.891 . 0 0 "[ . 1 . 2 . 3]" 1 2928 1 128 GLY H 1 131 ALA H 3.800 3.000 4.600 4.018 3.899 4.176 . 0 0 "[ . 1 . 2 . 3]" 1 2929 1 128 GLY QA 1 129 MET H 3.600 2.900 4.300 2.630 2.561 2.727 0.339 23 0 "[ . 1 . 2 . 3]" 1 2930 1 128 GLY QA 1 130 GLY H 3.200 2.600 3.800 3.988 3.760 4.200 0.400 25 0 "[ . 1 . 2 . 3]" 1 2931 1 128 GLY QA 1 131 ALA H 3.200 2.600 3.800 3.554 3.400 3.675 . 0 0 "[ . 1 . 2 . 3]" 1 2932 1 128 GLY QA 1 131 ALA MB 3.800 3.000 4.600 3.094 2.705 3.519 0.295 5 0 "[ . 1 . 2 . 3]" 1 2933 1 128 GLY QA 1 131 ALA MB 3.900 3.100 4.700 2.955 2.650 3.241 0.450 5 0 "[ . 1 . 2 . 3]" 1 2934 1 128 GLY QA 1 132 VAL H 4.100 3.300 4.900 4.213 4.081 4.320 . 0 0 "[ . 1 . 2 . 3]" 1 2935 1 128 GLY QA 1 132 VAL H 3.200 2.600 3.800 2.756 2.745 2.784 . 0 0 "[ . 1 . 2 . 3]" 1 2936 1 129 MET H 1 129 MET HA 3.200 2.600 3.800 2.657 2.624 2.675 . 0 0 "[ . 1 . 2 . 3]" 1 2937 1 129 MET H 1 129 MET HA 3.200 2.600 3.800 2.752 2.703 2.818 . 0 0 "[ . 1 . 2 . 3]" 1 2938 1 129 MET H 1 129 MET QG 3.500 2.800 4.200 3.831 2.973 4.009 . 0 0 "[ . 1 . 2 . 3]" 1 2939 1 129 MET H 1 129 MET QG 3.600 2.900 4.300 3.461 2.841 3.631 0.059 23 0 "[ . 1 . 2 . 3]" 1 2940 1 129 MET H 1 131 ALA H 2.800 2.200 3.400 2.356 2.310 2.511 . 0 0 "[ . 1 . 2 . 3]" 1 2941 1 129 MET H 1 131 ALA MB 3.500 2.800 4.200 2.286 2.244 2.378 0.556 5 24 "[****+- *1****** ***** *** ***]" 1 2942 1 129 MET H 1 131 ALA H 4.400 3.500 5.300 4.089 3.805 4.506 . 0 0 "[ . 1 . 2 . 3]" 1 2943 1 129 MET H 1 132 VAL QG 3.100 2.500 3.700 1.920 1.795 2.062 0.705 11 25 "[** *- ****+* *.****** ********]" 1 2944 1 129 MET HA 1 129 MET ME 3.700 3.000 4.400 3.874 3.707 4.450 0.050 27 0 "[ . 1 . 2 . 3]" 1 2945 1 129 MET HA 1 129 MET QG 3.700 3.000 4.300 2.632 2.432 3.457 0.568 3 22 "[ *+*.* ***** *** **- * *** ***]" 1 2946 1 129 MET HA 1 130 GLY H 3.400 2.700 4.100 3.513 3.460 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 2947 1 129 MET HA 1 132 VAL H 3.300 2.600 4.000 3.641 3.408 3.753 . 0 0 "[ . 1 . 2 . 3]" 1 2948 1 129 MET HA 1 132 VAL HB 3.300 2.600 4.000 3.044 2.570 3.397 0.030 17 0 "[ . 1 . 2 . 3]" 1 2949 1 129 MET HA 1 132 VAL QG 4.000 3.200 4.800 3.187 2.843 3.514 0.357 27 0 "[ . 1 . 2 . 3]" 1 2950 1 129 MET ME 1 133 ALA HA 4.000 3.200 4.800 4.857 4.461 5.490 0.690 5 3 "[ + 1 *. 2 - 3]" 1 2951 1 129 MET ME 1 133 ALA MB 3.800 3.000 4.600 2.370 2.041 2.930 0.959 8 23 "[****.**+**** *-***2 ***.** **]" 1 2952 1 129 MET QG 1 130 GLY H 4.000 3.200 4.800 3.697 2.304 4.279 0.896 1 5 "[+ . * 1 . - 2 * . * 3]" 1 2953 1 129 MET QG 1 132 VAL H 4.500 3.600 5.400 5.160 4.908 5.551 0.151 1 0 "[ . 1 . 2 . 3]" 1 2954 1 130 GLY H 1 131 ALA H 3.300 2.600 4.000 2.690 2.592 2.870 0.008 6 0 "[ . 1 . 2 . 3]" 1 2955 1 130 GLY H 1 131 ALA MB 4.100 3.300 4.900 4.388 4.272 4.522 . 0 0 "[ . 1 . 2 . 3]" 1 2956 1 131 ALA H 1 131 ALA HA 3.200 2.600 3.800 2.855 2.791 2.866 . 0 0 "[ . 1 . 2 . 3]" 1 2957 1 131 ALA H 1 131 ALA MB 3.400 2.700 4.100 2.256 2.230 2.268 0.470 10 0 "[ . 1 . 2 . 3]" 1 2958 1 131 ALA H 1 131 ALA MB 3.100 2.500 3.700 2.242 2.220 2.254 0.280 10 0 "[ . 1 . 2 . 3]" 1 2959 1 131 ALA H 1 132 VAL H 3.500 2.800 4.200 2.637 2.601 2.798 0.199 3 0 "[ . 1 . 2 . 3]" 1 2960 1 131 ALA H 1 132 VAL HB 3.500 2.800 4.200 4.821 4.682 5.026 0.826 10 29 "[** ******+****-***************]" 1 2961 1 131 ALA H 1 132 VAL QG 3.800 3.000 4.600 3.916 3.786 4.060 . 0 0 "[ . 1 . 2 . 3]" 1 2962 1 131 ALA H 1 134 PHE H 3.500 2.800 4.200 4.322 4.166 4.532 0.332 10 0 "[ . 1 . 2 . 3]" 1 2963 1 131 ALA HA 1 135 ILE H 3.800 3.000 4.600 3.922 3.819 4.000 . 0 0 "[ . 1 . 2 . 3]" 1 2964 1 131 ALA HA 1 134 PHE QB 3.900 3.100 4.700 2.422 2.309 2.570 0.791 28 30 [****-**********************+**] 1 2965 1 131 ALA HA 1 134 PHE QD 5.300 4.200 6.400 4.021 3.698 4.299 0.502 28 1 "[ . 1 . 2 . + 3]" 1 2966 1 131 ALA HA 1 135 ILE H 3.800 3.000 4.600 3.898 3.796 4.009 . 0 0 "[ . 1 . 2 . 3]" 1 2967 1 131 ALA MB 1 132 VAL H 3.200 2.600 3.800 1.828 1.731 1.923 0.869 11 30 [**-*******+*******************] 1 2968 1 131 ALA MB 1 134 PHE QB 5.300 4.200 6.400 3.670 3.603 3.734 0.597 10 24 "[****. ** +****. *****-* ******]" 1 2969 1 132 VAL H 1 132 VAL HA 3.700 3.000 4.400 2.794 2.781 2.824 0.219 10 0 "[ . 1 . 2 . 3]" 1 2970 1 132 VAL H 1 132 VAL HB 3.300 2.600 3.600 2.637 2.546 2.721 0.054 3 0 "[ . 1 . 2 . 3]" 1 2971 1 132 VAL H 1 132 VAL QG 3.500 2.800 4.200 1.921 1.796 2.064 1.004 11 30 [**-*******+*******************] 1 2972 1 132 VAL H 1 133 ALA H 2.900 2.600 3.500 2.677 2.575 2.789 0.025 6 0 "[ . 1 . 2 . 3]" 1 2973 1 132 VAL H 1 133 ALA MB 4.200 3.400 5.000 4.337 4.247 4.417 . 0 0 "[ . 1 . 2 . 3]" 1 2974 1 132 VAL H 1 134 PHE H 3.900 3.100 4.700 3.990 3.860 4.062 . 0 0 "[ . 1 . 2 . 3]" 1 2975 1 132 VAL HA 1 132 VAL QG 3.300 2.600 4.000 2.135 2.122 2.152 0.478 6 0 "[ . 1 . 2 . 3]" 1 2976 1 132 VAL HA 1 134 PHE H 3.300 2.600 4.000 4.285 4.138 4.400 0.400 8 0 "[ . 1 . 2 . 3]" 1 2977 1 132 VAL HA 1 135 ILE H 3.300 2.600 4.000 3.589 3.432 3.748 . 0 0 "[ . 1 . 2 . 3]" 1 2978 1 132 VAL HA 1 135 ILE MD 3.400 2.700 4.100 2.731 1.976 3.178 0.724 10 5 "[ * . + * . 2 .* - 3]" 1 2979 1 132 VAL HA 1 136 GLY H 3.200 2.600 3.800 2.198 2.193 2.205 0.407 16 0 "[ . 1 . 2 . 3]" 1 2980 1 132 VAL HB 1 133 ALA H 2.800 2.200 3.400 2.565 2.370 2.621 . 0 0 "[ . 1 . 2 . 3]" 1 2981 1 132 VAL HB 1 133 ALA HA 4.700 3.800 5.600 4.196 4.097 4.303 . 0 0 "[ . 1 . 2 . 3]" 1 2982 1 132 VAL HB 1 134 PHE H 3.200 2.600 3.800 4.899 4.811 4.959 1.159 5 30 [-***+*************************] 1 2983 1 132 VAL QG 1 133 ALA MB 4.000 3.200 4.800 3.939 3.836 4.021 . 0 0 "[ . 1 . 2 . 3]" 1 2984 1 132 VAL QG 1 134 PHE H 3.400 2.700 4.100 4.540 4.479 4.601 0.501 8 1 "[ . + 1 . 2 . 3]" 1 2985 1 132 VAL QG 1 135 ILE H 3.300 2.600 4.000 3.107 2.802 3.188 . 0 0 "[ . 1 . 2 . 3]" 1 2986 1 132 VAL QG 1 135 ILE MD 3.800 3.000 4.600 3.327 2.734 3.723 0.266 10 0 "[ . 1 . 2 . 3]" 1 2987 1 133 ALA H 1 133 ALA HA 3.200 2.600 3.800 2.610 2.588 2.638 0.012 18 0 "[ . 1 . 2 . 3]" 1 2988 1 133 ALA H 1 133 ALA MB 3.300 2.600 4.000 2.223 2.208 2.234 0.392 29 0 "[ . 1 . 2 . 3]" 1 2989 1 133 ALA H 1 133 ALA MB 3.000 2.400 3.600 1.983 1.971 1.991 0.429 11 0 "[ . 1 . 2 . 3]" 1 2990 1 133 ALA H 1 134 PHE H 3.200 2.600 3.800 2.571 2.524 2.687 0.076 14 0 "[ . 1 . 2 . 3]" 1 2991 1 133 ALA H 1 134 PHE H 3.100 2.500 3.700 2.537 2.490 2.645 0.010 14 0 "[ . 1 . 2 . 3]" 1 2992 1 133 ALA HA 1 133 ALA MB 2.800 2.200 3.400 1.856 1.821 1.875 0.379 12 0 "[ . 1 . 2 . 3]" 1 2993 1 133 ALA HA 1 134 PHE H 3.000 2.400 3.600 3.520 3.503 3.532 . 0 0 "[ . 1 . 2 . 3]" 1 2994 1 133 ALA HA 1 135 ILE QG 4.200 3.400 5.000 5.555 4.270 5.812 0.812 8 25 "[** ****+*1* ***-********* * **]" 1 2995 1 133 ALA HA 1 136 GLY H 3.400 2.700 4.100 3.247 3.197 3.318 . 0 0 "[ . 1 . 2 . 3]" 1 2996 1 133 ALA HA 1 137 LEU H 3.900 3.100 4.700 4.453 4.272 4.644 . 0 0 "[ . 1 . 2 . 3]" 1 2997 1 133 ALA MB 1 134 PHE H 3.300 2.600 4.000 2.651 2.564 2.724 0.036 1 0 "[ . 1 . 2 . 3]" 1 2998 1 133 ALA MB 1 135 ILE H 4.400 3.500 5.300 4.789 4.680 4.918 . 0 0 "[ . 1 . 2 . 3]" 1 2999 1 133 ALA MB 1 137 LEU H 3.300 2.600 4.000 4.024 3.929 4.107 0.107 1 0 "[ . 1 . 2 . 3]" 1 3000 1 134 PHE H 1 134 PHE HA 3.200 2.600 3.800 2.773 2.757 2.786 . 0 0 "[ . 1 . 2 . 3]" 1 3001 1 134 PHE H 1 134 PHE QB 2.900 2.300 3.500 2.258 2.215 2.272 0.085 11 0 "[ . 1 . 2 . 3]" 1 3002 1 134 PHE H 1 134 PHE QD 3.400 2.700 4.100 4.171 4.112 4.182 0.082 24 0 "[ . 1 . 2 . 3]" 1 3003 1 134 PHE H 1 135 ILE H 3.200 2.600 3.800 2.846 2.783 2.959 . 0 0 "[ . 1 . 2 . 3]" 1 3004 1 134 PHE H 1 135 ILE H 3.600 2.900 4.300 2.806 2.748 2.914 0.152 2 0 "[ . 1 . 2 . 3]" 1 3005 1 134 PHE H 1 135 ILE QG 3.500 2.800 4.200 4.057 3.574 4.194 . 0 0 "[ . 1 . 2 . 3]" 1 3006 1 134 PHE H 1 135 ILE QG 4.700 3.800 5.600 3.942 3.475 4.074 0.325 10 0 "[ . 1 . 2 . 3]" 1 3007 1 134 PHE H 1 136 GLY H 3.500 2.800 4.200 2.647 2.544 2.780 0.256 21 0 "[ . 1 . 2 . 3]" 1 3008 1 134 PHE HA 1 134 PHE QE 5.900 4.700 7.100 4.557 4.481 4.765 0.219 26 0 "[ . 1 . 2 . 3]" 1 3009 1 134 PHE HA 1 135 ILE H 3.900 3.100 4.700 3.553 3.543 3.563 . 0 0 "[ . 1 . 2 . 3]" 1 3010 1 134 PHE HA 1 138 VAL H 3.700 3.000 4.400 4.382 4.174 4.682 0.282 26 0 "[ . 1 . 2 . 3]" 1 3011 1 134 PHE QB 1 134 PHE QE 5.200 4.200 6.200 3.754 3.551 3.822 0.649 8 3 "[ . + 1 * . - 2 . 3]" 1 3012 1 134 PHE QB 1 135 ILE H 5.000 4.000 6.000 2.317 2.222 2.461 1.778 3 30 [**+*******-*******************] 1 3013 1 134 PHE QD 1 135 ILE H 4.200 3.400 5.000 3.168 2.723 3.401 0.677 13 4 "[ - .* 1 + . 2 . * 3]" 1 3014 1 134 PHE QD 1 135 ILE MG 5.000 4.000 6.000 4.437 3.050 4.921 0.950 3 5 "[ + . * - . 2 .* * 3]" 1 3015 1 134 PHE QD 1 137 LEU H 4.600 3.700 5.500 5.075 4.871 5.236 . 0 0 "[ . 1 . 2 . 3]" 1 3016 1 134 PHE QD 1 137 LEU QD 4.500 3.600 5.400 3.622 3.342 3.890 0.258 20 0 "[ . 1 . 2 . 3]" 1 3017 1 134 PHE QD 1 138 VAL H 4.400 3.500 5.300 4.757 4.554 4.949 . 0 0 "[ . 1 . 2 . 3]" 1 3018 1 134 PHE QD 1 171 TRP HE3 3.300 2.600 4.000 4.583 4.271 4.752 0.752 11 22 "[*** ** *+***** **-* **** **]" 1 3019 1 134 PHE QE 1 137 LEU QD 5.800 4.600 7.000 3.856 3.611 4.141 0.989 20 28 "[***-* ****** ******+**********]" 1 3020 1 134 PHE QE 1 137 LEU QD 3.600 2.900 4.300 2.678 2.158 2.910 0.742 11 2 "[ .- 1+ . 2 . 3]" 1 3021 1 134 PHE QE 1 137 LEU HG 4.900 3.900 5.900 5.566 5.104 6.016 0.116 28 0 "[ . 1 . 2 . 3]" 1 3022 1 134 PHE QE 1 138 VAL H 4.400 3.500 5.300 5.065 4.771 5.291 . 0 0 "[ . 1 . 2 . 3]" 1 3023 1 134 PHE QE 1 138 VAL QG 5.900 4.700 7.100 2.782 2.564 3.198 2.136 27 30 [*************************-+***] 1 3024 1 134 PHE QE 1 138 VAL QG 4.200 3.400 5.000 2.704 2.512 3.110 0.888 27 29 "[************************* +**-]" 1 3025 1 134 PHE QE 1 167 THR MG 4.100 3.300 4.900 2.992 2.636 3.268 0.664 7 3 "[ . + 1 . * 2 -. 3]" 1 3026 1 134 PHE QE 1 168 VAL HA 4.000 3.200 4.800 3.458 3.327 3.501 . 0 0 "[ . 1 . 2 . 3]" 1 3027 1 134 PHE QE 1 168 VAL QG 3.800 3.000 4.600 2.705 2.002 3.200 0.998 2 11 "[*+ * * *-** . * 2 . **3]" 1 3028 1 134 PHE QE 1 172 ALA HA 4.100 3.300 4.900 2.500 2.139 2.931 1.161 20 25 "[** **-* *1** ******+******* **]" 1 3029 1 134 PHE QE 1 172 ALA MB 5.700 4.600 6.800 2.648 2.298 3.137 2.302 8 30 [*******+*******************-**] 1 3030 1 134 PHE QE 1 172 ALA MB 3.900 3.100 4.700 2.593 2.280 2.986 0.820 8 18 "[ * * *+*- * ***** 2** ** * *3]" 1 3031 1 134 PHE HZ 1 137 LEU QD 5.700 4.600 6.800 5.525 5.176 5.859 . 0 0 "[ . 1 . 2 . 3]" 1 3032 1 134 PHE HZ 1 138 VAL QG 5.500 4.400 6.600 2.929 2.603 3.359 1.797 13 30 [************+************-****] 1 3033 1 134 PHE HZ 1 168 VAL HA 4.800 3.800 5.800 4.294 3.652 5.325 0.148 17 0 "[ . 1 . 2 . 3]" 1 3034 1 134 PHE HZ 1 168 VAL QG 5.100 4.100 6.100 3.850 2.806 4.438 1.294 8 8 "[ ** - + * * . * 2 * 3]" 1 3035 1 134 PHE HZ 1 171 TRP H 3.800 3.000 4.600 4.934 4.367 6.030 1.430 11 7 "[ * .* *+ * . 2 .- * 3]" 1 3036 1 134 PHE HZ 1 172 ALA H 5.100 4.100 6.100 3.239 2.882 3.925 1.218 17 26 "[**-** **** * ***+********** **]" 1 3037 1 134 PHE HZ 1 172 ALA HA . 3.800 4.400 2.158 1.913 2.475 1.887 30 30 [*******-*********************+] 1 3038 1 134 PHE HZ 1 172 ALA MB 4.900 3.900 5.900 2.607 1.969 3.118 1.931 6 30 [*****+**************-*********] 1 3039 1 135 ILE H 1 135 ILE HB 3.100 2.500 3.700 2.787 2.614 3.464 . 0 0 "[ . 1 . 2 . 3]" 1 3040 1 135 ILE H 1 135 ILE HB 3.100 2.500 3.700 2.787 2.614 3.464 . 0 0 "[ . 1 . 2 . 3]" 1 3041 1 135 ILE H 1 135 ILE MD 3.600 2.900 4.300 3.484 3.419 3.557 . 0 0 "[ . 1 . 2 . 3]" 1 3042 1 135 ILE H 1 135 ILE QG 3.600 2.900 3.700 1.833 1.703 1.910 1.197 26 30 [*****************-*******+****] 1 3043 1 135 ILE H 1 136 GLY H 3.600 2.900 4.300 2.675 2.638 2.723 0.262 14 0 "[ . 1 . 2 . 3]" 1 3044 1 135 ILE H 1 137 LEU H 3.700 3.000 4.400 4.269 4.150 4.435 0.035 16 0 "[ . 1 . 2 . 3]" 1 3045 1 135 ILE H 1 138 VAL H 3.600 3.400 4.300 4.950 4.837 5.105 0.805 28 30 [*-*************************+**] 1 3046 1 135 ILE H 1 138 VAL QG 5.400 4.300 6.500 3.865 3.771 4.252 0.529 16 9 "[** . *1 .+ *** *. - 3]" 1 3047 1 135 ILE HA 1 135 ILE MD 3.600 2.900 4.300 2.294 2.114 2.365 0.786 26 30 [-************************+****] 1 3048 1 135 ILE HA 1 135 ILE QG 3.700 3.000 4.400 2.567 2.432 3.161 0.568 18 25 "[** ***-**1* *****+******* * **]" 1 3049 1 135 ILE HA 1 135 ILE QG 3.700 3.000 4.300 2.562 2.430 3.143 0.570 18 25 "[** ***-**1* *****+******* * **]" 1 3050 1 135 ILE HA 1 135 ILE MG 3.300 2.600 4.000 2.311 2.120 2.387 0.480 26 0 "[ . 1 . 2 . 3]" 1 3051 1 135 ILE HA 1 136 GLY H 4.500 3.600 5.400 3.516 3.503 3.530 0.097 7 0 "[ . 1 . 2 . 3]" 1 3052 1 135 ILE HA 1 137 LEU H 4.400 3.500 5.300 4.204 4.039 4.358 . 0 0 "[ . 1 . 2 . 3]" 1 3053 1 135 ILE HA 1 138 VAL H 4.200 3.400 5.000 3.409 3.259 3.579 0.141 26 0 "[ . 1 . 2 . 3]" 1 3054 1 135 ILE HA 1 138 VAL H 3.100 2.500 3.700 3.293 3.177 3.439 . 0 0 "[ . 1 . 2 . 3]" 1 3055 1 135 ILE HA 1 138 VAL QG 4.500 3.600 5.400 1.915 1.781 2.618 1.819 20 30 [*******-***********+**********] 1 3056 1 135 ILE HA 1 138 VAL QG 3.800 3.000 4.600 1.902 1.770 2.592 1.230 20 28 "[******* ***********+*****-***3]" 1 3057 1 135 ILE HA 1 139 TYR H 3.100 2.500 3.700 2.184 2.140 2.227 0.360 25 0 "[ . 1 . 2 . 3]" 1 3058 1 135 ILE HB 1 136 GLY H 2.900 2.300 3.500 2.852 2.741 3.216 . 0 0 "[ . 1 . 2 . 3]" 1 3059 1 135 ILE HB 1 136 GLY QA 3.800 3.800 4.600 3.855 3.728 3.918 0.072 10 0 "[ . 1 . 2 . 3]" 1 3060 1 135 ILE HB 1 136 GLY QA 4.300 3.400 5.200 3.855 3.728 3.918 . 0 0 "[ . 1 . 2 . 3]" 1 3061 1 135 ILE MD 1 136 GLY H 4.100 3.300 4.900 4.532 3.875 4.689 . 0 0 "[ . 1 . 2 . 3]" 1 3062 1 135 ILE MD 1 138 VAL QG 5.100 4.100 6.100 4.353 4.159 5.216 . 0 0 "[ . 1 . 2 . 3]" 1 3063 1 135 ILE QG 1 135 ILE MG 3.100 2.500 3.700 2.311 2.232 2.351 0.268 3 0 "[ . 1 . 2 . 3]" 1 3064 1 135 ILE QG 1 136 GLY H 4.400 3.500 4.600 3.647 2.293 3.944 1.207 26 5 "[ * . * - . 2 .+ * 3]" 1 3065 1 135 ILE QG 1 137 LEU H 3.600 2.900 4.300 5.362 4.739 5.599 1.299 16 27 "[** ******1*-***+********* ****]" 1 3066 1 135 ILE QG 1 139 TYR H 3.400 2.700 4.100 3.711 2.540 3.989 0.160 8 0 "[ . 1 . 2 . 3]" 1 3067 1 135 ILE MG 1 136 GLY H 3.700 3.000 4.400 3.807 3.661 4.249 . 0 0 "[ . 1 . 2 . 3]" 1 3068 1 135 ILE MG 1 138 VAL QG 4.900 3.900 5.900 2.582 2.325 3.571 1.575 12 29 [*******-***+*****************3] 1 3069 1 136 GLY H 1 136 GLY QA 3.200 2.600 3.800 2.203 2.197 2.209 0.403 16 0 "[ . 1 . 2 . 3]" 1 3070 1 136 GLY H 1 137 LEU H 3.400 2.700 4.100 2.694 2.584 2.844 0.116 21 0 "[ . 1 . 2 . 3]" 1 3071 1 136 GLY H 1 138 VAL H 3.800 3.000 4.600 4.407 4.220 4.574 . 0 0 "[ . 1 . 2 . 3]" 1 3072 1 136 GLY H 1 138 VAL QG 5.800 4.600 7.000 4.064 3.933 4.698 0.667 2 27 "[*+***** **-************** ***3]" 1 3073 1 136 GLY QA 1 137 LEU H . 3.400 4.100 2.714 2.679 2.754 0.721 28 30 [*******************-*******+**] 1 3074 1 136 GLY QA 1 137 LEU QB 4.400 3.500 5.300 4.239 4.215 4.262 . 0 0 "[ . 1 . 2 . 3]" 1 3075 1 136 GLY QA 1 138 VAL H 4.000 3.200 4.800 4.415 4.229 4.509 . 0 0 "[ . 1 . 2 . 3]" 1 3076 1 136 GLY QA 1 140 TYR H 2.900 2.300 3.500 2.386 2.292 2.495 0.008 1 0 "[ . 1 . 2 . 3]" 1 3077 1 137 LEU H 1 137 LEU HA 3.200 2.600 3.800 2.838 2.814 2.856 . 0 0 "[ . 1 . 2 . 3]" 1 3078 1 137 LEU H 1 137 LEU QB . 3.500 4.000 2.239 2.190 2.263 1.310 28 30 [*******************-*******+**] 1 3079 1 137 LEU H 1 137 LEU QD 3.800 3.000 4.600 3.738 3.613 3.785 . 0 0 "[ . 1 . 2 . 3]" 1 3080 1 137 LEU H 1 137 LEU QD 3.900 3.100 4.600 3.396 3.001 3.518 0.099 28 0 "[ . 1 . 2 . 3]" 1 3081 1 137 LEU H 1 137 LEU HG 3.800 3.000 4.600 4.418 4.255 4.579 . 0 0 "[ . 1 . 2 . 3]" 1 3082 1 137 LEU H 1 138 VAL H 3.500 2.800 3.800 2.706 2.624 2.815 0.176 8 0 "[ . 1 . 2 . 3]" 1 3083 1 137 LEU H 1 138 VAL H 3.200 2.600 3.800 2.388 2.306 2.477 0.294 2 0 "[ . 1 . 2 . 3]" 1 3084 1 137 LEU H 1 138 VAL QG 4.700 3.800 5.600 3.573 3.474 3.881 0.326 4 0 "[ . 1 . 2 . 3]" 1 3085 1 137 LEU H 1 138 VAL QG 4.100 3.300 4.900 2.292 2.128 3.123 1.172 9 27 "[******* +**-************* ***3]" 1 3086 1 137 LEU HA 1 137 LEU QD 3.600 2.900 4.300 2.084 1.960 2.321 0.940 20 30 [***************-***+**********] 1 3087 1 137 LEU HA 1 138 VAL H 3.400 2.700 4.100 3.575 3.551 3.591 . 0 0 "[ . 1 . 2 . 3]" 1 3088 1 137 LEU HA 1 138 VAL HA 3.700 3.000 4.400 2.920 2.686 3.106 0.314 2 0 "[ . 1 . 2 . 3]" 1 3089 1 137 LEU HA 1 138 VAL QG 5.000 4.000 6.000 4.506 4.464 4.777 . 0 0 "[ . 1 . 2 . 3]" 1 3090 1 137 LEU HA 1 140 TYR QB 4.400 3.500 5.300 2.947 2.701 3.146 0.799 2 15 "[*+ *.****** ** ** -* 3]" 1 3091 1 137 LEU HA 1 141 LEU H 3.800 3.000 4.600 4.487 4.264 4.648 0.048 19 0 "[ . 1 . 2 . 3]" 1 3092 1 137 LEU HA 1 141 LEU QD 4.600 3.700 5.500 4.297 3.436 4.929 0.264 13 0 "[ . 1 . 2 . 3]" 1 3093 1 137 LEU QB 1 138 VAL H 3.400 2.700 4.100 2.362 2.200 2.549 0.500 28 0 "[ . 1 . 2 . 3]" 1 3094 1 137 LEU QB 1 138 VAL QG 4.700 3.800 5.600 3.052 2.946 3.243 0.854 28 30 [***************-***********+**] 1 3095 1 137 LEU QB 1 141 LEU QD 4.500 3.600 5.400 4.019 3.428 4.652 0.172 17 0 "[ . 1 . 2 . 3]" 1 3096 1 137 LEU QD 1 138 VAL H 4.400 3.500 4.700 3.625 2.367 3.853 1.133 28 1 "[ . 1 . 2 . + 3]" 1 3097 1 137 LEU QD 1 138 VAL HA 4.500 3.600 5.400 3.967 2.145 4.235 1.455 28 1 "[ . 1 . 2 . + 3]" 1 3098 1 137 LEU QD 1 138 VAL QG 5.000 4.000 6.000 3.456 2.173 3.763 1.827 28 13 "[ * * *1 **.*-* 2 * ***+ 3]" 1 3099 1 137 LEU QD 1 140 TYR H 3.600 2.900 4.300 3.798 3.521 3.939 . 0 0 "[ . 1 . 2 . 3]" 1 3100 1 137 LEU QD 1 140 TYR QB 4.300 3.400 5.200 2.679 2.465 2.930 0.935 20 29 "[** **********-*****+**********]" 1 3101 1 137 LEU QD 1 141 LEU H 3.400 2.700 4.100 2.394 2.013 2.649 0.687 11 1 "[ . 1+ . 2 . 3]" 1 3102 1 137 LEU QD 1 141 LEU QD 4.300 3.600 5.200 2.576 1.921 3.104 1.679 28 29 "[ ****-*********************+**]" 1 3103 1 137 LEU QD 1 167 THR MG 6.000 4.800 7.200 4.476 3.840 4.927 0.960 17 8 "[ *.** 1* . + 2 **. - 3]" 1 3104 1 137 LEU QD 1 171 TRP HE3 5.100 4.100 6.100 2.900 2.183 3.285 1.917 11 30 [**********+**********-********] 1 3105 1 137 LEU HG 1 138 VAL H 3.200 2.600 3.800 3.416 3.042 4.228 0.428 28 0 "[ . 1 . 2 . 3]" 1 3106 1 137 LEU HG 1 138 VAL QG 4.500 3.600 5.400 3.636 3.345 4.291 0.255 16 0 "[ . 1 . 2 . 3]" 1 3107 1 137 LEU HG 1 141 LEU QD 3.700 3.000 4.400 2.657 1.821 4.138 1.179 17 10 "[ * * 1 **.-+* 2 * .** 3]" 1 3108 1 137 LEU HG 1 171 TRP HE3 4.200 3.400 5.000 4.268 3.647 4.807 . 0 0 "[ . 1 . 2 . 3]" 1 3109 1 138 VAL H 1 138 VAL HA 3.200 2.600 3.800 2.781 2.751 2.814 . 0 0 "[ . 1 . 2 . 3]" 1 3110 1 138 VAL H 1 138 VAL HB 2.800 2.200 3.400 3.423 2.474 3.602 0.202 17 0 "[ . 1 . 2 . 3]" 1 3111 1 138 VAL H 1 138 VAL QG 3.600 2.900 4.000 1.831 1.745 1.979 1.155 30 30 [*******-*********************+] 1 3112 1 138 VAL H 1 139 TYR QB 3.900 3.100 4.700 4.362 4.258 4.449 . 0 0 "[ . 1 . 2 . 3]" 1 3113 1 138 VAL H 1 140 TYR H 4.000 3.200 4.800 4.286 4.049 4.453 . 0 0 "[ . 1 . 2 . 3]" 1 3114 1 138 VAL H 1 141 LEU QD 4.300 3.400 5.200 3.956 3.570 4.629 . 0 0 "[ . 1 . 2 . 3]" 1 3115 1 138 VAL HA 1 138 VAL QG 3.600 3.100 4.100 2.361 2.113 2.424 0.987 30 30 [***************************-*+] 1 3116 1 138 VAL HA 1 139 TYR H 3.800 3.000 4.600 3.385 3.349 3.424 . 0 0 "[ . 1 . 2 . 3]" 1 3117 1 138 VAL HA 1 141 LEU H 3.300 2.600 4.000 2.513 2.339 2.685 0.261 25 0 "[ . 1 . 2 . 3]" 1 3118 1 138 VAL HA 1 141 LEU QD 4.000 3.200 4.800 2.118 1.697 3.025 1.503 20 29 "[******-*** ********+**********]" 1 3119 1 138 VAL HA 1 141 LEU HG 3.500 2.800 4.200 3.230 1.984 4.898 0.816 9 10 "[ * - +1 * .* * 2 *** * 3]" 1 3120 1 138 VAL HA 1 142 VAL H 3.300 2.600 4.000 3.794 3.680 3.997 . 0 0 "[ . 1 . 2 . 3]" 1 3121 1 138 VAL HA 1 168 VAL QG 3.400 2.700 4.000 2.133 2.083 2.235 0.617 20 24 "[* **.**-*1* ******+******** *]" 1 3122 1 138 VAL HB 1 139 TYR HA 3.200 2.600 3.800 2.353 2.313 2.409 0.287 3 0 "[ . 1 . 2 . 3]" 1 3123 1 138 VAL HB 1 141 LEU H 3.000 2.400 3.600 2.090 1.823 2.270 0.577 25 1 "[ . 1 . 2 + 3]" 1 3124 1 138 VAL HB 1 142 VAL H 3.100 2.500 3.700 2.584 2.219 2.929 0.281 10 0 "[ . 1 . 2 . 3]" 1 3125 1 138 VAL MG1 1 138 VAL MG2 3.500 2.900 4.200 2.086 2.078 2.091 0.822 30 30 [***************-*************+] 1 3126 1 138 VAL QG 1 139 TYR H 4.100 3.300 4.900 2.329 2.144 3.298 1.156 9 27 "[******* +**-************* ***3]" 1 3127 1 138 VAL QG 1 139 TYR HA 5.300 4.200 6.400 3.035 2.925 3.771 1.275 29 29 [*************************-**+3] 1 3128 1 138 VAL QG 1 139 TYR QD 5.400 4.300 6.500 4.639 4.485 5.423 . 0 0 "[ . 1 . 2 . 3]" 1 3129 1 138 VAL QG 1 140 TYR H 5.200 4.200 6.200 4.252 4.095 4.672 0.105 2 0 "[ . 1 . 2 . 3]" 1 3130 1 138 VAL QG 1 141 LEU H 5.000 4.000 6.000 4.440 4.253 4.697 . 0 0 "[ . 1 . 2 . 3]" 1 3131 1 138 VAL QG 1 141 LEU QD 4.600 4.200 5.500 2.955 2.484 3.891 1.716 2 29 "[*+****-*** *******************]" 1 3132 1 138 VAL QG 1 172 ALA H 5.700 4.600 6.800 4.927 4.623 5.228 . 0 0 "[ . 1 . 2 . 3]" 1 3133 1 138 VAL QG 1 172 ALA MB 5.800 4.600 7.000 3.567 3.286 3.715 1.314 20 30 [************-******+**********] 1 3134 1 139 TYR H 1 139 TYR HA 3.400 2.700 3.800 2.807 2.784 2.826 . 0 0 "[ . 1 . 2 . 3]" 1 3135 1 139 TYR H 1 139 TYR QB . 3.200 3.800 2.195 2.150 2.239 1.050 25 30 [-***********************+*****] 1 3136 1 139 TYR H 1 139 TYR QD 3.900 3.100 4.600 4.105 4.024 4.174 . 0 0 "[ . 1 . 2 . 3]" 1 3137 1 139 TYR H 1 140 TYR H 3.100 2.900 3.700 2.686 2.583 2.784 0.317 28 0 "[ . 1 . 2 . 3]" 1 3138 1 139 TYR H 1 141 LEU QD 5.500 4.400 6.600 4.613 4.224 5.216 0.176 16 0 "[ . 1 . 2 . 3]" 1 3139 1 139 TYR H 1 142 VAL QG 3.100 2.500 3.700 2.103 1.826 2.593 0.674 30 9 "[ *.* * * - * *2 . *+]" 1 3140 1 139 TYR HA 1 139 TYR QD 3.700 3.000 4.400 2.936 2.746 3.017 0.254 20 0 "[ . 1 . 2 . 3]" 1 3141 1 139 TYR HA 1 139 TYR QE 3.800 3.000 4.600 4.246 4.190 4.314 . 0 0 "[ . 1 . 2 . 3]" 1 3142 1 139 TYR HA 1 142 VAL H 3.400 2.700 4.100 3.590 3.384 3.870 . 0 0 "[ . 1 . 2 . 3]" 1 3143 1 139 TYR HA 1 142 VAL QG 3.200 2.600 3.800 2.936 1.912 3.559 0.688 6 3 "[ .+ -1 . *2 . 3]" 1 3144 1 139 TYR HA 1 143 GLY H 3.800 3.000 4.600 4.407 4.163 4.639 0.039 1 0 "[ . 1 . 2 . 3]" 1 3145 1 139 TYR QB 1 139 TYR QD 3.500 2.800 4.200 2.104 2.087 2.113 0.713 7 30 [******+************-**********] 1 3146 1 139 TYR QB 1 139 TYR QE 3.800 3.000 4.600 3.359 3.249 3.427 . 0 0 "[ . 1 . 2 . 3]" 1 3147 1 139 TYR QB 1 139 TYR QE 4.200 3.400 5.000 3.507 3.505 3.511 . 0 0 "[ . 1 . 2 . 3]" 1 3148 1 139 TYR QB 1 140 TYR H . 3.500 4.100 2.604 2.448 2.804 1.052 1 30 [+**************************-**] 1 3149 1 139 TYR QB 1 141 LEU H 3.700 3.000 4.400 3.444 3.392 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 3150 1 139 TYR QD 1 140 TYR H 4.000 3.200 4.200 3.003 2.798 3.299 0.402 14 0 "[ . 1 . 2 . 3]" 1 3151 1 139 TYR QD 1 140 TYR HA 5.200 4.200 6.200 3.267 2.987 3.590 1.213 7 30 [******+************-**********] 1 3152 1 139 TYR QD 1 141 LEU H 4.700 3.800 5.600 5.258 5.113 5.570 . 0 0 "[ . 1 . 2 . 3]" 1 3153 1 139 TYR QD 1 142 VAL QG 4.500 3.600 5.400 4.288 3.279 5.020 0.321 6 0 "[ . 1 . 2 . 3]" 1 3154 1 139 TYR QD 1 143 GLY H 4.500 3.600 5.400 5.054 4.876 5.159 . 0 0 "[ . 1 . 2 . 3]" 1 3155 1 139 TYR QE 1 140 TYR QD 5.100 4.100 6.100 3.390 2.905 4.365 1.195 29 19 "[ * * *1- ****** 2*** ****+*]" 1 3156 1 139 TYR QE 1 143 GLY QA 3.900 3.100 4.700 3.568 3.370 3.680 . 0 0 "[ . 1 . 2 . 3]" 1 3157 1 140 TYR H 1 140 TYR QB . 3.000 3.600 2.375 2.238 2.530 0.762 2 29 "[*+************** ***********-*]" 1 3158 1 140 TYR H 1 140 TYR QD . 3.400 4.200 3.212 3.054 3.340 0.346 7 0 "[ . 1 . 2 . 3]" 1 3159 1 140 TYR H 1 141 LEU H 3.300 2.600 4.000 2.687 2.524 2.859 0.076 2 0 "[ . 1 . 2 . 3]" 1 3160 1 140 TYR H 1 141 LEU H 3.300 2.600 4.000 2.630 2.482 2.781 0.118 2 0 "[ . 1 . 2 . 3]" 1 3161 1 140 TYR H 1 141 LEU HA 4.100 3.300 4.900 5.279 5.137 5.422 0.522 4 2 "[ +. - 1 . 2 . 3]" 1 3162 1 140 TYR H 1 141 LEU QD 4.700 3.800 5.600 4.273 3.592 4.809 0.208 5 0 "[ . 1 . 2 . 3]" 1 3163 1 140 TYR H 1 142 VAL H 2.900 2.300 3.500 2.285 2.088 2.529 0.212 28 0 "[ . 1 . 2 . 3]" 1 3164 1 140 TYR HA 1 140 TYR QD 4.700 3.800 5.300 2.135 1.914 2.362 1.886 28 30 [******-********************+**] 1 3165 1 140 TYR HA 1 140 TYR QE 4.600 3.700 5.500 4.325 4.238 4.468 . 0 0 "[ . 1 . 2 . 3]" 1 3166 1 140 TYR HA 1 145 MET H 3.600 2.900 4.300 4.589 4.243 5.009 0.709 7 6 "[ *. +* * . 2*- . 3]" 1 3167 1 140 TYR QB 1 140 TYR QE 5.100 4.100 6.100 3.953 3.940 3.967 0.160 2 0 "[ . 1 . 2 . 3]" 1 3168 1 140 TYR QB 1 141 LEU H . 3.600 4.400 2.617 2.379 2.830 1.221 25 30 [******************-*****+*****] 1 3169 1 140 TYR QB 1 145 MET H 3.800 3.000 4.600 3.395 3.240 3.642 . 0 0 "[ . 1 . 2 . 3]" 1 3170 1 140 TYR QB 1 145 MET ME 5.700 4.600 6.000 2.807 2.191 3.587 2.409 9 30 [*-******+*********************] 1 3171 1 140 TYR QD 1 141 LEU H 4.500 3.600 5.400 4.444 4.261 4.625 . 0 0 "[ . 1 . 2 . 3]" 1 3172 1 140 TYR QD 1 141 LEU HG 4.900 3.900 5.900 4.210 3.866 4.738 0.034 9 0 "[ . 1 . 2 . 3]" 1 3173 1 140 TYR QD 1 145 MET H 3.500 2.800 4.200 2.762 2.604 2.995 0.196 3 0 "[ . 1 . 2 . 3]" 1 3174 1 140 TYR QD 1 145 MET QG 4.300 3.400 5.200 4.703 2.994 5.380 0.406 2 0 "[ . 1 . 2 . 3]" 1 3175 1 140 TYR QE 1 145 MET ME 4.700 3.800 5.600 5.754 5.242 6.059 0.459 4 0 "[ . 1 . 2 . 3]" 1 3176 1 141 LEU H 1 141 LEU QD 3.900 3.100 4.600 2.653 1.946 3.095 1.154 18 10 "[ - * 1 **.**+ 2 * .** 3]" 1 3177 1 141 LEU H 1 141 LEU QD 3.400 2.700 4.100 2.593 1.942 2.982 0.758 18 10 "[ - * 1 **.**+ 2 * .** 3]" 1 3178 1 141 LEU H 1 141 LEU HG 3.500 2.800 4.200 2.745 1.854 4.080 0.946 25 19 "[** *.***** * * **** *+ *-*]" 1 3179 1 141 LEU H 1 142 VAL H 3.300 2.600 3.800 2.725 2.516 2.918 0.084 6 0 "[ . 1 . 2 . 3]" 1 3180 1 141 LEU H 1 142 VAL HB 3.900 3.100 4.700 5.268 4.811 6.109 1.409 6 17 "[** *.+ 1****.* *** -*. * **]" 1 3181 1 141 LEU H 1 143 GLY H 4.300 3.400 5.200 3.755 3.607 4.019 . 0 0 "[ . 1 . 2 . 3]" 1 3182 1 141 LEU H 1 145 MET ME 5.100 4.100 6.100 4.746 3.885 5.481 0.215 9 0 "[ . 1 . 2 . 3]" 1 3183 1 141 LEU HA 1 141 LEU QD 4.600 3.700 5.500 2.345 1.876 3.410 1.824 11 27 "[******** *+****-********.** **]" 1 3184 1 141 LEU HA 1 141 LEU HG 4.100 3.300 4.900 2.980 2.388 3.693 0.912 16 10 "[ * * 1 **.+** 2 - .** 3]" 1 3185 1 141 LEU HA 1 142 VAL H 3.500 2.800 4.200 3.512 3.395 3.568 . 0 0 "[ . 1 . 2 . 3]" 1 3186 1 141 LEU HA 1 145 MET H 3.700 3.000 4.400 4.863 4.017 6.026 1.626 11 12 "[** .* 1+ . ** ** **.-* 3]" 1 3187 1 141 LEU QB 1 142 VAL H 3.300 2.600 4.000 2.685 2.231 3.732 0.369 10 0 "[ . 1 . 2 . 3]" 1 3188 1 141 LEU QB 1 143 GLY H 3.700 3.100 4.400 4.401 4.175 5.060 0.660 28 3 "[ . -1 . 2 * + 3]" 1 3189 1 141 LEU MD1 1 141 LEU MD2 3.500 2.800 4.200 2.081 2.048 2.088 0.752 20 30 [*********-*********+**********] 1 3190 1 141 LEU QD 1 142 VAL H 4.200 3.400 4.800 3.821 2.331 4.114 1.069 9 3 "[ . +1 . 2 * - 3]" 1 3191 1 141 LEU QD 1 167 THR MG 4.600 3.700 5.400 3.056 2.188 3.767 1.512 24 17 "[** *.** 1* - .********+. * 3]" 1 3192 1 141 LEU QD 1 168 VAL H 5.000 4.000 6.000 3.839 2.837 4.268 1.163 24 6 "[** .* 1* . - +. 3]" 1 3193 1 141 LEU QD 1 168 VAL H 3.200 2.600 3.800 2.075 1.777 2.307 0.823 24 17 "[ **.** *1 **** *****+*- 3]" 1 3194 1 141 LEU QD 1 168 VAL HA 3.500 2.800 4.200 2.140 2.029 2.238 0.771 20 30 [************-******+**********] 1 3195 1 141 LEU QD 1 168 VAL QG 4.800 3.800 5.800 2.421 1.745 3.374 2.055 25 28 "[****.******* ****-******+*****]" 1 3196 1 141 LEU QD 1 171 TRP HE3 6.000 4.800 7.200 3.752 3.027 4.213 1.773 20 30 [*********-*********+**********] 1 3197 1 142 VAL H 1 142 VAL HA 3.200 2.600 3.800 2.912 2.844 2.949 . 0 0 "[ . 1 . 2 . 3]" 1 3198 1 142 VAL H 1 142 VAL HB 2.900 2.300 3.500 2.740 2.420 3.613 0.113 6 0 "[ . 1 . 2 . 3]" 1 3199 1 142 VAL H 1 142 VAL QG 2.800 2.200 3.400 2.105 1.827 2.599 0.373 30 0 "[ . 1 . 2 . 3]" 1 3200 1 142 VAL H 1 143 GLY H 3.100 2.500 3.700 2.295 2.098 2.543 0.402 28 0 "[ . 1 . 2 . 3]" 1 3201 1 142 VAL H 1 143 GLY QA 3.300 2.600 4.000 3.804 3.301 4.218 0.218 8 0 "[ . 1 . 2 . 3]" 1 3202 1 142 VAL H 1 164 ARG QD 3.700 3.000 4.400 4.598 3.505 5.520 1.120 8 10 "[ . +*** - *2 ** **3]" 1 3203 1 142 VAL HA 1 142 VAL HB 3.700 3.000 4.400 2.804 2.398 3.026 0.602 6 8 "[ .+ 1 *-*.* **2 . *]" 1 3204 1 142 VAL HA 1 142 VAL QG 3.600 2.900 4.000 2.176 2.113 2.325 0.787 20 30 [*******************+*********-] 1 3205 1 142 VAL HA 1 142 VAL QG 3.900 3.100 4.700 2.174 2.110 2.323 0.990 20 30 [*******************+*********-] 1 3206 1 142 VAL HA 1 143 GLY H 3.600 2.900 4.300 3.330 3.105 3.441 . 0 0 "[ . 1 . 2 . 3]" 1 3207 1 142 VAL HA 1 146 THR H 3.400 2.700 4.100 4.193 3.571 4.471 0.371 11 0 "[ . 1 . 2 . 3]" 1 3208 1 142 VAL HB 1 143 GLY H 3.400 2.700 4.100 3.720 3.103 4.427 0.327 1 0 "[ . 1 . 2 . 3]" 1 3209 1 142 VAL QG 1 143 GLY H 3.600 2.900 4.100 3.252 2.583 3.671 0.317 14 0 "[ . 1 . 2 . 3]" 1 3210 1 142 VAL QG 1 146 THR HB 4.500 3.600 5.400 4.292 3.517 5.143 0.083 18 0 "[ . 1 . 2 . 3]" 1 3211 1 142 VAL QG 1 164 ARG QD 3.500 3.100 4.200 3.082 2.087 4.060 1.013 4 6 "[ *+. 1 . * 2*-* . 3]" 1 3212 1 143 GLY H 1 143 GLY QA 2.800 2.600 3.400 2.218 2.202 2.283 0.398 10 0 "[ . 1 . 2 . 3]" 1 3213 1 143 GLY H 1 145 MET H 4.000 3.200 4.600 3.861 3.427 4.118 . 0 0 "[ . 1 . 2 . 3]" 1 3214 1 143 GLY H 1 146 THR H 4.100 3.300 4.900 4.269 3.879 4.605 . 0 0 "[ . 1 . 2 . 3]" 1 3215 1 145 MET H 1 145 MET ME . 3.700 4.400 4.675 4.467 5.079 0.679 25 2 "[ . 1 .- 2 + 3]" 1 3216 1 145 MET H 1 145 MET QG 2.800 2.200 3.400 2.383 1.899 2.950 0.301 7 0 "[ . 1 . 2 . 3]" 1 3217 1 145 MET H 1 146 THR H 3.500 2.800 4.200 2.772 2.609 3.010 0.191 3 0 "[ . 1 . 2 . 3]" 1 3218 1 145 MET H 1 147 GLU H 4.300 3.400 5.200 4.319 3.991 4.693 . 0 0 "[ . 1 . 2 . 3]" 1 3219 1 145 MET H 1 148 SER H 4.200 3.400 5.000 4.831 4.730 5.130 0.130 26 0 "[ . 1 . 2 . 3]" 1 3220 1 145 MET HA 1 145 MET ME 3.900 3.400 4.700 4.417 3.839 4.583 . 0 0 "[ . 1 . 2 . 3]" 1 3221 1 145 MET HA 1 146 THR H 4.000 3.200 4.800 3.510 3.445 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 3222 1 145 MET HA 1 147 GLU H 4.200 3.400 5.000 4.515 4.247 4.819 . 0 0 "[ . 1 . 2 . 3]" 1 3223 1 145 MET HA 1 148 SER H 2.700 2.200 3.200 3.625 3.382 3.930 0.730 15 11 "[ * ** * -* +* 2 *.* *]" 1 3224 1 145 MET HA 1 148 SER H 4.500 3.600 5.400 3.154 3.039 3.274 0.561 1 4 "[+ *. 1 . * . - 3]" 1 3225 1 145 MET HA 1 149 ALA H 3.600 2.900 4.300 4.082 3.682 4.562 0.262 2 0 "[ . 1 . 2 . 3]" 1 3226 1 145 MET ME 1 145 MET QG 3.400 2.700 4.100 2.254 2.224 2.413 0.476 29 0 "[ . 1 . 2 . 3]" 1 3227 1 145 MET QG 1 146 THR H 3.500 2.800 4.200 4.232 3.896 4.373 0.173 26 0 "[ . 1 . 2 . 3]" 1 3228 1 145 MET QG 1 149 ALA H 4.500 3.600 5.400 4.954 4.155 5.434 0.034 5 0 "[ . 1 . 2 . 3]" 1 3229 1 146 THR H 1 146 THR HA 3.200 2.600 3.800 2.844 2.778 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 3230 1 146 THR H 1 146 THR HB 3.100 2.500 3.700 2.970 2.509 3.640 . 0 0 "[ . 1 . 2 . 3]" 1 3231 1 146 THR H 1 146 THR MG 3.700 3.000 4.400 2.865 1.999 3.788 1.001 7 17 "[** . + *1 ** .*** **** *-* *]" 1 3232 1 146 THR H 1 146 THR MG 4.200 3.400 5.000 2.582 1.998 3.626 1.402 7 20 "[** *. + *1-** .*** ******** *]" 1 3233 1 146 THR H 1 147 GLU H 3.200 2.600 3.800 2.591 2.380 2.796 0.220 3 0 "[ . 1 . 2 . 3]" 1 3234 1 146 THR H 1 147 GLU QB 3.100 2.500 3.700 4.541 4.156 4.881 1.181 20 21 "[** -.****1****. ***+** * ***]" 1 3235 1 146 THR H 1 148 SER H 3.500 3.100 4.200 3.980 3.780 4.408 0.208 30 0 "[ . 1 . 2 . 3]" 1 3236 1 146 THR H 1 149 ALA H 4.500 3.600 5.200 4.867 4.694 5.060 . 0 0 "[ . 1 . 2 . 3]" 1 3237 1 146 THR HA 1 146 THR MG 3.600 2.900 4.300 2.516 2.301 3.211 0.599 24 24 "[* **** ******** * ****-+.****3]" 1 3238 1 146 THR HA 1 147 GLU H 2.800 2.200 3.400 3.531 3.485 3.571 0.171 6 0 "[ . 1 . 2 . 3]" 1 3239 1 146 THR HA 1 148 SER H 3.000 2.400 3.600 4.330 4.074 4.535 0.935 5 29 [*-**+**************2**********] 1 3240 1 146 THR HA 1 149 ALA H 4.500 3.600 5.400 3.752 3.441 4.080 0.159 16 0 "[ . 1 . 2 . 3]" 1 3241 1 146 THR HB 1 149 ALA MB 5.000 4.000 6.000 5.348 4.407 6.000 . 0 0 "[ . 1 . 2 . 3]" 1 3242 1 146 THR MG 1 147 GLU H 4.000 3.200 4.800 3.405 2.135 4.001 1.065 16 6 "[ * . * 1 .+ - 2 * *]" 1 3243 1 146 THR MG 1 149 ALA H 5.000 4.000 6.000 5.221 4.856 5.590 . 0 0 "[ . 1 . 2 . 3]" 1 3244 1 146 THR MG 1 150 SER H 5.800 4.600 7.000 4.888 3.907 5.972 0.693 5 4 "[ *+ 1 * 2 -. 3]" 1 3245 1 147 GLU H 1 147 GLU HA 3.200 2.600 3.800 2.847 2.804 2.868 . 0 0 "[ . 1 . 2 . 3]" 1 3246 1 147 GLU H 1 147 GLU QB 2.700 2.200 3.200 2.361 2.234 2.494 . 0 0 "[ . 1 . 2 . 3]" 1 3247 1 147 GLU H 1 147 GLU QG 2.900 2.300 3.500 2.829 2.136 4.008 0.508 10 2 "[ - + . 2 . 3]" 1 3248 1 147 GLU H 1 148 SER H 3.100 2.500 3.700 2.547 2.456 2.751 0.044 27 0 "[ . 1 . 2 . 3]" 1 3249 1 147 GLU H 1 149 ALA H 4.300 3.400 5.200 4.282 4.054 4.527 . 0 0 "[ . 1 . 2 . 3]" 1 3250 1 147 GLU H 1 150 SER H 5.500 4.400 6.600 4.760 4.663 4.906 . 0 0 "[ . 1 . 2 . 3]" 1 3251 1 147 GLU HA 1 147 GLU QB 2.800 2.200 3.400 2.368 2.323 2.431 . 0 0 "[ . 1 . 2 . 3]" 1 3252 1 147 GLU HA 1 148 SER H 2.500 . 3.000 2.726 2.713 2.737 . 0 0 "[ . 1 . 2 . 3]" 1 3253 1 147 GLU HA 1 149 ALA H 3.300 2.600 4.000 3.437 3.370 3.468 . 0 0 "[ . 1 . 2 . 3]" 1 3254 1 147 GLU HA 1 150 SER H 3.200 2.600 3.800 2.715 2.658 2.773 . 0 0 "[ . 1 . 2 . 3]" 1 3255 1 147 GLU QB 1 148 SER H 2.600 2.100 3.100 2.754 2.413 3.075 . 0 0 "[ . 1 . 2 . 3]" 1 3256 1 147 GLU QB 1 149 ALA H 3.700 3.000 4.400 4.916 4.700 5.119 0.719 20 17 "[* -.* * ** **. * *+** * ***3]" 1 3257 1 147 GLU QG 1 148 SER H 3.100 2.500 3.700 4.008 3.445 4.637 0.937 4 7 "[ * +.- * 1 * . * 2* . 3]" 1 3258 1 148 SER H 1 149 ALA MB 3.800 3.000 4.600 4.322 4.262 4.396 . 0 0 "[ . 1 . 2 . 3]" 1 3259 1 148 SER HA 1 151 GLN H 3.200 2.600 3.800 3.158 3.090 3.237 . 0 0 "[ . 1 . 2 . 3]" 1 3260 1 149 ALA H 1 149 ALA HA 3.800 3.000 3.800 2.846 2.798 2.870 0.202 26 0 "[ . 1 . 2 . 3]" 1 3261 1 149 ALA H 1 149 ALA MB 3.400 2.900 4.100 2.247 2.228 2.267 0.672 16 30 [***************+****-*********] 1 3262 1 149 ALA H 1 151 GLN H 4.200 3.400 5.000 3.944 3.815 4.094 . 0 0 "[ . 1 . 2 . 3]" 1 3263 1 149 ALA HA 1 150 SER H 4.100 3.300 4.900 3.524 3.489 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 3264 1 149 ALA HA 1 151 GLN H 4.200 3.400 5.000 3.064 2.942 3.226 0.458 2 0 "[ . 1 . 2 . 3]" 1 3265 1 149 ALA MB 1 150 SER H 4.400 3.500 5.300 2.614 2.263 2.772 1.237 26 30 [**************-**********+****] 1 3266 1 149 ALA MB 1 151 GLN H 3.700 3.000 4.400 3.049 2.986 3.127 0.014 7 0 "[ . 1 . 2 . 3]" 1 3267 1 149 ALA MB 1 160 TYR H 4.600 3.700 5.500 3.667 3.391 3.863 0.309 4 0 "[ . 1 . 2 . 3]" 1 3268 1 149 ALA MB 1 160 TYR QB 3.900 3.600 4.700 2.376 2.151 2.625 1.449 1 30 [+*******-*********************] 1 3269 1 149 ALA MB 1 160 TYR QD 4.700 3.800 5.600 2.886 2.360 3.360 1.440 6 29 [****.+*************-**********] 1 3270 1 150 SER H 1 151 GLN H 3.500 2.800 4.200 2.653 2.517 2.743 0.283 5 0 "[ . 1 . 2 . 3]" 1 3271 1 150 SER H 1 151 GLN H 3.700 3.000 4.400 2.625 2.493 2.721 0.507 5 1 "[ + 1 . 2 . 3]" 1 3272 1 150 SER H 1 151 GLN QG 4.600 3.800 5.500 4.176 3.712 5.404 0.088 3 0 "[ . 1 . 2 . 3]" 1 3273 1 150 SER H 1 152 ARG H 3.500 2.800 4.200 2.447 2.293 2.589 0.507 21 1 "[ . 1 . 2+ . 3]" 1 3274 1 150 SER H 1 156 ILE HB 4.200 3.400 5.000 5.994 5.825 6.045 1.045 27 30 [**************************+**-] 1 3275 1 150 SER HA 1 151 GLN H 4.100 3.300 4.900 3.151 3.092 3.216 0.208 27 0 "[ . 1 . 2 . 3]" 1 3276 1 151 GLN H 1 151 GLN HA 3.200 2.600 3.800 2.943 2.931 2.948 . 0 0 "[ . 1 . 2 . 3]" 1 3277 1 151 GLN H 1 151 GLN HA 3.300 2.600 4.000 2.710 2.649 2.759 . 0 0 "[ . 1 . 2 . 3]" 1 3278 1 151 GLN H 1 151 GLN QE 4.400 3.800 5.300 4.252 3.446 4.779 0.354 5 0 "[ . 1 . 2 . 3]" 1 3279 1 151 GLN H 1 151 GLN QG 3.100 2.600 3.700 2.857 2.018 3.804 0.582 13 1 "[ . 1 + . 2 . 3]" 1 3280 1 151 GLN H 1 197 ILE HA 4.200 3.400 5.000 4.099 4.036 4.178 . 0 0 "[ . 1 . 2 . 3]" 1 3281 1 151 GLN HA 1 151 GLN QE 3.400 2.700 4.000 4.686 3.772 4.841 0.841 14 25 "[****. ***1**-+*****2***** ****]" 1 3282 1 151 GLN HA 1 151 GLN QG 3.100 2.500 3.700 2.516 2.365 3.337 0.135 29 0 "[ . 1 . 2 . 3]" 1 3283 1 151 GLN QE 1 151 GLN QG 2.800 2.200 3.400 2.222 2.128 2.665 0.072 14 0 "[ . 1 . 2 . 3]" 1 3284 1 152 ARG H 1 152 ARG HA 3.200 2.600 3.800 2.896 2.859 2.935 . 0 0 "[ . 1 . 2 . 3]" 1 3285 1 152 ARG H 1 152 ARG QD 4.000 3.200 4.800 4.257 3.552 4.723 . 0 0 "[ . 1 . 2 . 3]" 1 3286 1 152 ARG H 1 152 ARG QD 3.600 2.900 4.300 2.455 2.363 2.626 0.537 27 6 "[- . *1 **. 2 * . + 3]" 1 3287 1 152 ARG H 1 153 SER H 2.900 2.300 3.500 2.440 2.282 2.583 0.018 21 0 "[ . 1 . 2 . 3]" 1 3288 1 152 ARG H 1 156 ILE HB 2.900 2.300 3.500 3.884 3.685 4.123 0.623 4 3 "[ +. 1 . 2 - . *]" 1 3289 1 152 ARG HA 1 153 SER H 2.600 2.100 3.100 3.550 3.540 3.564 0.464 9 0 "[ . 1 . 2 . 3]" 1 3290 1 152 ARG QD 1 153 SER H 3.500 2.800 4.100 4.501 3.366 5.053 0.953 26 16 "[ * *.-* 1* * .*** ** * *+** 3]" 1 3291 1 153 SER H 1 154 SER H 4.000 3.200 4.800 4.380 4.331 4.394 . 0 0 "[ . 1 . 2 . 3]" 1 3292 1 153 SER H 1 156 ILE H 4.200 3.400 5.000 3.905 3.775 4.017 . 0 0 "[ . 1 . 2 . 3]" 1 3293 1 153 SER H 1 156 ILE HB 2.600 2.100 3.100 2.323 2.196 2.371 . 0 0 "[ . 1 . 2 . 3]" 1 3294 1 153 SER H 1 156 ILE QG . 3.800 4.400 3.110 2.902 3.910 0.898 17 29 "[*-* ************+*************]" 1 3295 1 153 SER H 1 156 ILE MG 3.500 2.800 4.200 3.418 3.332 3.499 . 0 0 "[ . 1 . 2 . 3]" 1 3296 1 153 SER H 1 157 LYS H 4.100 3.300 4.800 4.037 3.781 4.300 . 0 0 "[ . 1 . 2 . 3]" 1 3297 1 155 GLY H 1 156 ILE H 4.200 3.400 5.000 2.509 2.478 2.550 0.922 3 30 [**+********-******************] 1 3298 1 155 GLY H 1 158 SER H 4.300 3.400 5.200 5.227 4.969 5.473 0.273 6 0 "[ . 1 . 2 . 3]" 1 3299 1 155 GLY H 1 158 SER H 4.600 3.700 5.500 3.916 3.665 4.331 0.035 8 0 "[ . 1 . 2 . 3]" 1 3300 1 156 ILE H 1 156 ILE HB . 3.200 3.600 2.509 2.429 2.561 0.771 20 30 [*******************+**-*******] 1 3301 1 156 ILE H 1 156 ILE MD 4.000 3.200 4.600 3.322 3.215 3.634 . 0 0 "[ . 1 . 2 . 3]" 1 3302 1 156 ILE H 1 156 ILE QG 3.800 3.100 3.800 2.127 2.050 2.289 1.050 24 30 [*******************-***+******] 1 3303 1 156 ILE H 1 156 ILE MG 3.800 3.000 4.600 3.763 3.747 3.775 . 0 0 "[ . 1 . 2 . 3]" 1 3304 1 156 ILE H 1 157 LYS H 3.100 2.600 3.700 2.774 2.648 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 3305 1 156 ILE H 1 158 SER H 4.200 3.500 5.000 4.383 4.161 4.667 . 0 0 "[ . 1 . 2 . 3]" 1 3306 1 156 ILE H 1 159 LEU H 4.500 3.600 5.400 4.932 4.807 5.141 . 0 0 "[ . 1 . 2 . 3]" 1 3307 1 156 ILE HA 1 156 ILE QG 3.600 2.900 4.300 2.818 2.320 2.881 0.580 4 1 "[ +. 1 . 2 . 3]" 1 3308 1 156 ILE HA 1 156 ILE QG 3.400 2.700 4.100 2.211 2.061 2.317 0.639 17 14 "[****. * * ** +- 2* * **]" 1 3309 1 156 ILE HA 1 156 ILE MG 3.300 2.600 4.000 2.445 2.407 2.501 0.193 15 0 "[ . 1 . 2 . 3]" 1 3310 1 156 ILE HA 1 157 LYS H 3.000 2.400 3.600 3.528 3.506 3.569 . 0 0 "[ . 1 . 2 . 3]" 1 3311 1 156 ILE HA 1 157 LYS H 4.200 3.400 5.000 2.985 2.950 3.045 0.450 21 0 "[ . 1 . 2 . 3]" 1 3312 1 156 ILE HA 1 158 SER H 3.700 3.000 4.400 4.446 4.074 4.811 0.411 21 0 "[ . 1 . 2 . 3]" 1 3313 1 156 ILE HA 1 159 LEU H . 3.400 4.000 3.605 3.274 3.774 0.126 4 0 "[ . 1 . 2 . 3]" 1 3314 1 156 ILE HA 1 160 TYR H 3.200 2.600 3.800 2.773 2.682 2.807 . 0 0 "[ . 1 . 2 . 3]" 1 3315 1 156 ILE HB 1 157 LYS H 2.800 2.200 3.400 2.702 2.545 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 3316 1 156 ILE MD 1 219 LEU QD 3.400 2.700 4.100 2.294 1.677 2.457 1.023 12 6 "[ * *. * * + . 2 . -]" 1 3317 1 156 ILE QG 1 157 LYS H . 3.600 4.300 4.098 4.021 4.185 . 0 0 "[ . 1 . 2 . 3]" 1 3318 1 156 ILE MG 1 157 LYS H 4.100 3.300 4.300 3.377 3.181 3.476 0.119 26 0 "[ . 1 . 2 . 3]" 1 3319 1 156 ILE MG 1 159 LEU H 4.500 3.600 5.400 4.787 4.370 4.959 . 0 0 "[ . 1 . 2 . 3]" 1 3320 1 157 LYS H 1 158 SER H 3.200 2.600 3.800 2.731 2.562 2.895 0.038 13 0 "[ . 1 . 2 . 3]" 1 3321 1 157 LYS H 1 158 SER H 3.700 3.000 4.400 2.716 2.553 2.873 0.447 13 0 "[ . 1 . 2 . 3]" 1 3322 1 157 LYS H 1 159 LEU H 4.000 3.200 4.800 4.263 4.033 4.454 . 0 0 "[ . 1 . 2 . 3]" 1 3323 1 157 LYS H 1 159 LEU H 4.200 3.400 5.000 3.818 3.641 3.968 . 0 0 "[ . 1 . 2 . 3]" 1 3324 1 158 SER H 1 158 SER HA 3.200 2.600 3.800 2.837 2.799 2.858 . 0 0 "[ . 1 . 2 . 3]" 1 3325 1 158 SER H 1 158 SER QB 3.300 2.600 3.800 2.389 2.250 2.621 0.350 22 0 "[ . 1 . 2 . 3]" 1 3326 1 158 SER H 1 159 LEU H 3.800 3.000 4.200 2.637 2.511 2.766 0.489 16 0 "[ . 1 . 2 . 3]" 1 3327 1 158 SER H 1 159 LEU QB 3.600 3.400 4.300 4.482 4.302 4.969 0.669 28 1 "[ . 1 . 2 . + 3]" 1 3328 1 158 SER H 1 160 TYR H 4.800 3.800 5.800 4.053 3.764 4.619 0.036 8 0 "[ . 1 . 2 . 3]" 1 3329 1 158 SER H 1 161 VAL QG 5.400 4.300 5.900 3.991 3.773 4.921 0.527 24 1 "[ . 1 . 2 +. 3]" 1 3330 1 158 SER HA 1 158 SER QB 2.600 2.100 3.100 2.334 2.186 2.383 . 0 0 "[ . 1 . 2 . 3]" 1 3331 1 158 SER HA 1 159 LEU H 3.200 2.600 3.800 2.723 2.700 2.737 . 0 0 "[ . 1 . 2 . 3]" 1 3332 1 158 SER HA 1 159 LEU H 4.200 3.400 5.000 3.366 3.326 3.400 0.074 4 0 "[ . 1 . 2 . 3]" 1 3333 1 158 SER HA 1 160 TYR H 3.700 3.000 4.400 3.385 3.307 3.495 . 0 0 "[ . 1 . 2 . 3]" 1 3334 1 158 SER HA 1 161 VAL H 3.900 3.100 4.700 3.753 3.527 3.960 . 0 0 "[ . 1 . 2 . 3]" 1 3335 1 158 SER QB 1 159 LEU H 3.600 2.900 4.000 2.633 2.406 3.310 0.494 29 0 "[ . 1 . 2 . 3]" 1 3336 1 158 SER QB 1 159 LEU QB 4.000 3.200 4.100 4.164 3.728 5.081 0.981 30 3 "[ . 1 * - 2 . +]" 1 3337 1 158 SER QB 1 160 TYR H 4.300 3.400 5.200 4.727 4.480 5.247 0.047 30 0 "[ . 1 . 2 . 3]" 1 3338 1 159 LEU H 1 159 LEU QB . 3.400 4.000 2.269 2.098 2.821 1.302 10 30 [*********+*****************-**] 1 3339 1 159 LEU H 1 159 LEU QB 3.000 2.400 3.600 2.144 1.936 2.245 0.464 28 0 "[ . 1 . 2 . 3]" 1 3340 1 159 LEU H 1 159 LEU QD 3.600 2.900 4.300 3.175 2.007 3.756 0.893 12 4 "[ * . * 1 + . 2 . - 3]" 1 3341 1 159 LEU H 1 159 LEU HG 4.000 3.200 4.800 3.579 1.972 4.497 1.228 28 6 "[ *. 1 - .* 2 * . + *]" 1 3342 1 159 LEU H 1 160 TYR H 3.500 2.800 4.200 2.622 2.519 2.787 0.281 8 0 "[ . 1 . 2 . 3]" 1 3343 1 159 LEU H 1 160 TYR H 3.600 2.900 4.300 2.600 2.498 2.762 0.402 8 0 "[ . 1 . 2 . 3]" 1 3344 1 159 LEU H 1 160 TYR QB 4.600 3.700 4.900 4.401 4.287 4.496 . 0 0 "[ . 1 . 2 . 3]" 1 3345 1 159 LEU H 1 161 VAL H 3.200 2.600 3.800 2.734 2.594 2.848 0.006 9 0 "[ . 1 . 2 . 3]" 1 3346 1 159 LEU H 1 161 VAL QG 5.000 4.000 6.000 4.093 3.742 5.037 0.258 7 0 "[ . 1 . 2 . 3]" 1 3347 1 159 LEU H 1 219 LEU QD 4.800 3.800 5.800 4.538 3.791 5.351 0.009 11 0 "[ . 1 . 2 . 3]" 1 3348 1 159 LEU HA 1 162 ARG QB 2.500 . 3.000 3.209 2.869 3.728 0.728 19 4 "[ . * . +2 -. * 3]" 1 3349 1 159 LEU QB 1 219 LEU QD 3.000 2.400 3.600 1.902 1.820 1.961 0.580 12 11 "[ * . **1*+ *. ****- . 3]" 1 3350 1 159 LEU QB 1 160 TYR H 3.600 2.900 4.300 2.685 2.174 2.902 0.726 9 3 "[ . - +1 .* 2 . 3]" 1 3351 1 159 LEU QB 1 163 LEU H 3.300 2.600 4.000 2.508 2.374 2.720 0.226 24 0 "[ . 1 . 2 . 3]" 1 3352 1 159 LEU QB 1 163 LEU QD 3.800 3.000 4.600 2.258 1.843 2.584 1.157 5 27 "[** *+******** *** ******-*****]" 1 3353 1 159 LEU QB 1 163 LEU H 3.000 2.400 3.600 2.096 1.851 2.235 0.549 9 1 "[ . +1 . 2 . 3]" 1 3354 1 159 LEU QB 1 212 ALA HA 4.200 3.400 5.000 5.208 4.537 5.571 0.571 10 1 "[ . + . 2 . 3]" 1 3355 1 159 LEU QD 1 160 TYR H 3.900 3.100 4.700 3.881 3.199 4.276 . 0 0 "[ . 1 . 2 . 3]" 1 3356 1 159 LEU QD 1 163 LEU H 3.700 3.000 4.400 3.712 3.383 4.009 . 0 0 "[ . 1 . 2 . 3]" 1 3357 1 159 LEU QD 1 212 ALA HA 3.700 3.000 4.400 2.877 2.201 4.121 0.799 1 10 "[+ * . * ** - * 2 * * *3]" 1 3358 1 159 LEU QD 1 212 ALA MB 3.500 2.800 4.200 3.595 2.867 4.765 0.565 23 2 "[ . 1 . 2 + . - 3]" 1 3359 1 159 LEU QD 1 215 ALA MB 3.600 2.900 4.300 1.831 1.628 2.158 1.272 11 30 [**********+**********-********] 1 3360 1 159 LEU QD 1 219 LEU H 5.500 4.400 6.600 5.150 4.575 5.614 . 0 0 "[ . 1 . 2 . 3]" 1 3361 1 159 LEU HG 1 219 LEU QD 3.300 2.600 4.000 1.930 1.850 1.971 0.750 12 30 [***********+*****************-] 1 3362 1 160 TYR H 1 160 TYR QD 4.500 3.600 5.400 4.189 4.070 4.223 . 0 0 "[ . 1 . 2 . 3]" 1 3363 1 160 TYR H 1 161 VAL H 3.600 3.000 4.300 2.668 2.562 2.903 0.438 27 0 "[ . 1 . 2 . 3]" 1 3364 1 160 TYR H 1 161 VAL QG 4.500 3.600 5.400 3.611 3.425 4.649 0.175 1 0 "[ . 1 . 2 . 3]" 1 3365 1 160 TYR HA 1 160 TYR QD 5.000 4.000 6.000 2.900 2.687 3.114 1.313 1 30 [+*****-***********************] 1 3366 1 160 TYR HA 1 161 VAL H 3.300 2.600 4.000 3.560 3.535 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 3367 1 160 TYR HA 1 162 ARG H 4.000 3.200 4.800 4.612 4.410 4.806 0.006 9 0 "[ . 1 . 2 . 3]" 1 3368 1 160 TYR HA 1 163 LEU H 3.900 3.100 4.700 3.706 3.456 3.947 . 0 0 "[ . 1 . 2 . 3]" 1 3369 1 160 TYR HA 1 163 LEU QD 5.800 4.600 7.000 3.389 2.451 4.017 2.149 9 30 [*****-**+*********************] 1 3370 1 160 TYR HA 1 163 LEU QD 4.100 3.600 4.900 2.840 2.235 3.082 1.365 9 30 [********+*************-*******] 1 3371 1 160 TYR HA 1 164 ARG H 4.200 3.400 5.000 3.579 3.293 3.853 0.107 5 0 "[ . 1 . 2 . 3]" 1 3372 1 160 TYR QB 1 161 VAL H . 3.800 4.400 2.543 2.461 2.745 1.339 18 30 [********-********+************] 1 3373 1 160 TYR QB 1 161 VAL QG 4.100 3.300 4.900 3.157 2.957 3.963 0.343 7 0 "[ . 1 . 2 . 3]" 1 3374 1 160 TYR QB 1 163 LEU QD 5.000 4.000 6.000 2.643 1.916 3.906 2.084 20 26 "[****.***-*** ******+***** * **]" 1 3375 1 160 TYR QD 1 161 VAL H 4.000 3.200 4.800 3.471 2.801 3.838 0.399 6 0 "[ . 1 . 2 . 3]" 1 3376 1 160 TYR QD 1 163 LEU H 4.900 3.900 5.900 5.624 5.284 5.865 . 0 0 "[ . 1 . 2 . 3]" 1 3377 1 160 TYR QD 1 164 ARG H 4.500 3.600 5.400 4.552 4.153 4.860 . 0 0 "[ . 1 . 2 . 3]" 1 3378 1 161 VAL H 1 161 VAL HB 3.600 2.900 3.600 3.465 1.994 3.657 0.906 27 3 "[ . 1 . -2 . + *]" 1 3379 1 161 VAL H 1 161 VAL QG 3.300 2.600 4.000 1.948 1.822 2.821 0.778 1 27 "[+***************** *****-* **3]" 1 3380 1 161 VAL H 1 162 ARG H 3.300 2.600 4.000 2.765 2.623 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 3381 1 161 VAL H 1 163 LEU QD 5.700 4.600 6.800 5.130 4.458 5.443 0.142 9 0 "[ . 1 . 2 . 3]" 1 3382 1 161 VAL H 1 164 ARG H 3.500 2.800 4.200 2.777 2.568 2.937 0.232 30 0 "[ . 1 . 2 . 3]" 1 3383 1 161 VAL HA 1 161 VAL QG 3.400 2.700 4.100 2.241 2.059 2.301 0.641 30 3 "[ . 1 . -2 . * +]" 1 3384 1 161 VAL HA 1 163 LEU H 3.600 2.900 4.300 4.642 4.347 4.890 0.590 4 6 "[ +.* 1 .** 2 -.* 3]" 1 3385 1 161 VAL HA 1 164 ARG H 3.300 2.600 4.000 3.678 3.415 3.849 . 0 0 "[ . 1 . 2 . 3]" 1 3386 1 161 VAL HA 1 165 ASN H 3.000 2.400 3.600 2.249 2.051 2.344 0.349 25 0 "[ . 1 . 2 . 3]" 1 3387 1 161 VAL HA 1 165 ASN QD 3.600 2.900 4.300 2.484 2.072 2.587 0.828 25 4 "[ * 1 - 2 + *3]" 1 3388 1 161 VAL HB 1 162 ARG H 3.100 2.500 3.700 3.531 2.981 3.667 . 0 0 "[ . 1 . 2 . 3]" 1 3389 1 161 VAL QG 1 162 ARG H 3.500 2.800 4.200 1.930 1.811 2.050 0.989 5 30 [****+************************-] 1 3390 1 161 VAL QG 1 162 ARG H 3.300 2.600 4.000 1.928 1.809 2.046 0.791 5 30 [****+************************-] 1 3391 1 161 VAL QG 1 163 LEU H 3.700 3.000 4.400 2.155 2.023 2.604 0.977 27 27 "[****-* * ****** **********+***]" 1 3392 1 161 VAL QG 1 164 ARG H 3.400 2.700 4.100 2.502 2.241 2.743 0.459 16 0 "[ . 1 . 2 . 3]" 1 3393 1 161 VAL QG 1 165 ASN H 3.500 2.800 4.200 4.194 3.868 4.359 0.159 6 0 "[ . 1 . 2 . 3]" 1 3394 1 161 VAL QG 1 165 ASN QD . 4.000 4.200 3.623 2.917 3.924 1.083 30 7 "[ * 1 - *2 * * *+]" 1 3395 1 162 ARG H 1 162 ARG QB 2.700 2.200 3.200 2.333 2.224 2.476 . 0 0 "[ . 1 . 2 . 3]" 1 3396 1 162 ARG H 1 163 LEU H 3.300 2.800 4.000 2.650 2.542 2.753 0.258 27 0 "[ . 1 . 2 . 3]" 1 3397 1 162 ARG H 1 163 LEU QD 5.200 4.200 6.200 4.155 3.714 4.454 0.486 5 0 "[ . 1 . 2 . 3]" 1 3398 1 162 ARG HA 1 163 LEU H 4.400 3.500 5.300 3.541 3.501 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 3399 1 162 ARG HA 1 163 LEU H 3.200 2.600 3.800 2.723 2.701 2.746 . 0 0 "[ . 1 . 2 . 3]" 1 3400 1 162 ARG HA 1 164 ARG H 3.600 2.900 4.300 3.476 3.421 3.506 . 0 0 "[ . 1 . 2 . 3]" 1 3401 1 162 ARG HA 1 165 ASN H 3.300 2.600 4.000 3.781 3.566 4.060 0.060 5 0 "[ . 1 . 2 . 3]" 1 3402 1 162 ARG HA 1 165 ASN QD 4.200 3.400 4.800 4.533 4.012 4.903 0.103 1 0 "[ . 1 . 2 . 3]" 1 3403 1 162 ARG QB 1 163 LEU H 3.200 2.600 3.800 2.516 2.377 2.737 0.223 24 0 "[ . 1 . 2 . 3]" 1 3404 1 162 ARG QB 1 164 ARG H 3.900 3.100 4.700 4.873 4.583 5.067 0.367 28 0 "[ . 1 . 2 . 3]" 1 3405 1 162 ARG QB 1 166 LEU H 3.000 2.400 3.600 5.169 4.850 5.556 1.956 11 30 [**********+***************-***] 1 3406 1 163 LEU H 1 163 LEU QD 4.400 3.500 4.700 2.512 2.083 2.904 1.417 26 30 [********-****************+****] 1 3407 1 163 LEU H 1 164 ARG H 3.700 3.000 4.400 2.734 2.615 2.856 0.385 7 0 "[ . 1 . 2 . 3]" 1 3408 1 163 LEU H 1 165 ASN H 3.700 3.000 4.400 4.268 4.077 4.490 0.090 6 0 "[ . 1 . 2 . 3]" 1 3409 1 163 LEU HA 1 163 LEU QD 3.600 2.900 4.300 2.151 1.953 2.333 0.947 28 30 [*****-*********************+**] 1 3410 1 163 LEU HA 1 166 LEU QD 3.600 2.900 4.300 2.567 1.839 2.977 1.061 16 11 "[ *.*** 1 .+***2- **. 3]" 1 3411 1 163 LEU HA 1 167 THR H 2.900 2.300 3.500 2.417 2.348 2.524 . 0 0 "[ . 1 . 2 . 3]" 1 3412 1 163 LEU HA 1 211 ILE QG 4.300 3.400 5.200 5.553 4.468 5.751 0.551 4 12 "[* *+.** 1 ** - 2* * * *3]" 1 3413 1 163 LEU HA 1 211 ILE MG 3.900 3.100 4.700 3.676 3.056 4.182 0.044 26 0 "[ . 1 . 2 . 3]" 1 3414 1 163 LEU QB 1 164 ARG H 3.300 2.600 4.000 2.503 2.234 2.751 0.366 16 0 "[ . 1 . 2 . 3]" 1 3415 1 163 LEU QB 1 166 LEU QD 3.700 3.000 4.400 4.367 3.280 5.032 0.632 27 3 "[ . 1 . 2 - + *]" 1 3416 1 163 LEU QD 1 164 ARG H 4.900 3.900 5.800 3.922 3.737 4.046 0.163 5 0 "[ . 1 . 2 . 3]" 1 3417 1 163 LEU QD 1 166 LEU H 4.900 3.900 5.900 5.151 4.859 5.485 . 0 0 "[ . 1 . 2 . 3]" 1 3418 1 163 LEU QD 1 166 LEU QD 4.400 3.700 5.300 3.486 2.535 4.064 1.165 23 9 "[ *.*** 1 .*** 2 +-. 3]" 1 3419 1 163 LEU QD 1 200 LEU MD2 3.600 2.900 4.300 2.080 2.066 2.089 0.834 22 30 [******-**************+********] 1 3420 1 163 LEU QD 1 208 PHE HA 4.800 3.800 5.800 3.105 2.492 3.497 1.308 7 25 "[****.*+*** * *********-** * **]" 1 3421 1 163 LEU QD 1 211 ILE H 4.900 3.900 5.400 4.535 4.282 4.809 . 0 0 "[ . 1 . 2 . 3]" 1 3422 1 163 LEU QD 1 211 ILE HB 4.800 3.800 5.800 2.630 2.223 2.998 1.577 8 30 [*******+*****************-****] 1 3423 1 163 LEU QD 1 211 ILE MD 4.500 4.200 5.400 3.138 2.585 4.275 1.615 16 28 "[******* *******+ -************]" 1 3424 1 163 LEU QD 1 211 ILE QG 5.500 4.400 6.600 3.899 3.044 4.138 1.356 8 8 "[ .**+ 1 .** -* * . 3]" 1 3425 1 163 LEU QD 1 211 ILE MG 4.000 3.800 4.800 2.587 1.748 3.226 2.052 13 30 [************+***********-*****] 1 3426 1 163 LEU QD 1 212 ALA H 4.400 3.800 5.000 3.755 3.340 4.129 0.460 11 0 "[ . 1 . 2 . 3]" 1 3427 1 163 LEU QD 1 212 ALA HA 5.100 4.100 6.100 3.167 2.525 3.498 1.575 11 30 [**********+**-****************] 1 3428 1 163 LEU QD 1 212 ALA MB 4.700 3.900 5.600 3.003 2.488 3.528 1.412 11 27 "[****.*****+*-************ * **]" 1 3429 1 163 LEU QD 1 213 LEU H 5.600 4.500 6.700 5.394 4.817 5.692 . 0 0 "[ . 1 . 2 . 3]" 1 3430 1 164 ARG H 1 164 ARG QD 3.500 2.800 4.200 4.429 3.984 4.861 0.661 3 2 "[ + . 1 - . 2 . 3]" 1 3431 1 164 ARG H 1 165 ASN H 3.600 2.900 4.300 2.795 2.579 2.963 0.321 30 0 "[ . 1 . 2 . 3]" 1 3432 1 164 ARG H 1 165 ASN QD 4.300 3.400 5.200 4.144 3.960 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 3433 1 164 ARG H 1 166 LEU H 4.500 3.600 5.400 4.382 3.992 4.673 . 0 0 "[ . 1 . 2 . 3]" 1 3434 1 164 ARG QD 1 168 VAL QG 4.400 3.500 5.300 2.795 1.954 3.933 1.546 14 19 "[* **.** ** * +.** ******.* -]" 1 3435 1 164 ARG QD 1 168 VAL QG 3.500 2.800 4.200 2.057 1.829 2.207 0.971 14 30 [*************+*************-**] 1 3436 1 165 ASN H 1 165 ASN HA 3.200 2.600 3.800 2.786 2.763 2.841 . 0 0 "[ . 1 . 2 . 3]" 1 3437 1 165 ASN H 1 165 ASN QB 3.200 2.600 3.800 2.310 2.185 2.372 0.415 15 0 "[ . 1 . 2 . 3]" 1 3438 1 165 ASN H 1 165 ASN QD 3.900 3.400 4.700 1.975 1.770 2.505 1.630 22 30 [*********************+**-*****] 1 3439 1 165 ASN H 1 166 LEU H 3.400 3.100 4.100 2.818 2.693 2.918 0.407 6 0 "[ . 1 . 2 . 3]" 1 3440 1 165 ASN H 1 167 THR H 4.000 3.200 4.800 4.338 3.834 4.573 . 0 0 "[ . 1 . 2 . 3]" 1 3441 1 165 ASN H 1 168 VAL H 4.000 3.200 4.800 4.960 4.799 5.181 0.381 6 0 "[ . 1 . 2 . 3]" 1 3442 1 165 ASN HA 1 165 ASN QD 3.900 3.300 4.700 2.449 2.125 3.398 1.175 16 26 "[-***.*********.+********.*** *]" 1 3443 1 165 ASN HA 1 166 LEU H 4.000 3.200 4.800 3.554 3.517 3.580 . 0 0 "[ . 1 . 2 . 3]" 1 3444 1 165 ASN HA 1 168 VAL H 4.100 3.300 4.900 4.006 3.748 4.155 . 0 0 "[ . 1 . 2 . 3]" 1 3445 1 165 ASN HA 1 168 VAL HB 4.200 3.400 5.000 3.686 3.144 4.540 0.256 23 0 "[ . 1 . 2 . 3]" 1 3446 1 165 ASN HA 1 169 VAL H 4.300 3.400 5.200 4.345 4.157 4.587 . 0 0 "[ . 1 . 2 . 3]" 1 3447 1 165 ASN QB 1 167 THR H 4.000 3.200 4.800 4.746 4.343 5.024 0.224 6 0 "[ . 1 . 2 . 3]" 1 3448 1 165 ASN QB 1 169 VAL QG 5.000 4.000 6.000 3.647 3.394 4.405 0.606 6 5 "[ .+ 1 . * 2* *-. 3]" 1 3449 1 166 LEU H 1 166 LEU HA 3.200 2.600 3.800 2.808 2.788 2.837 . 0 0 "[ . 1 . 2 . 3]" 1 3450 1 166 LEU H 1 166 LEU QD 4.100 3.300 4.300 3.289 2.358 3.561 0.942 16 3 "[ . - 1 .+ *2 . 3]" 1 3451 1 166 LEU H 1 166 LEU QD 3.700 3.000 4.400 2.924 2.339 3.167 0.661 16 2 "[ . 1 .+ -2 . 3]" 1 3452 1 166 LEU H 1 167 THR H 2.900 2.300 3.500 2.183 2.129 2.238 0.171 19 0 "[ . 1 . 2 . 3]" 1 3453 1 166 LEU H 1 167 THR H 3.400 2.700 4.100 2.190 2.136 2.246 0.564 19 17 "[ ***.**-*** .***+* **.* 3]" 1 3454 1 166 LEU H 1 168 VAL H 3.200 2.600 3.800 2.796 2.701 2.873 . 0 0 "[ . 1 . 2 . 3]" 1 3455 1 166 LEU HA 1 166 LEU QD 3.100 2.500 3.700 3.022 2.416 3.444 0.084 6 0 "[ . 1 . 2 . 3]" 1 3456 1 166 LEU HA 1 169 VAL QG 3.900 3.100 4.700 3.180 2.689 3.523 0.411 16 0 "[ . 1 . 2 . 3]" 1 3457 1 166 LEU QD 1 167 THR H 4.200 3.400 4.600 2.892 2.322 3.921 1.078 8 21 "[*** * +****-** * * * ******]" 1 3458 1 166 LEU QD 1 167 THR H 3.100 2.500 3.700 2.538 2.243 2.951 0.257 8 0 "[ . 1 . 2 . 3]" 1 3459 1 166 LEU QD 1 170 LEU H 3.600 2.900 3.800 2.368 1.928 2.510 0.972 5 13 "[ *-*+** ** . * 2 **. * *]" 1 3460 1 166 LEU QD 1 204 THR HA 4.300 3.400 5.200 2.549 2.225 2.939 1.175 21 28 "[******* *******-** *+*********]" 1 3461 1 166 LEU QD 1 208 PHE H 4.100 3.300 4.900 3.276 2.642 3.704 0.658 21 1 "[ . 1 . 2+ . 3]" 1 3462 1 166 LEU QD 1 207 GLY QA 4.700 3.800 5.600 3.139 2.588 3.879 1.212 20 19 "[*** * ** **** +*- ******]" 1 3463 1 166 LEU QD 1 207 GLY QA 3.600 2.900 4.300 2.745 2.425 2.999 0.475 21 0 "[ . 1 . 2 . 3]" 1 3464 1 166 LEU QD 1 208 PHE H 3.700 3.000 4.400 3.321 2.649 3.953 0.351 21 0 "[ . 1 . 2 . 3]" 1 3465 1 166 LEU QD 1 208 PHE HA 4.300 3.400 4.800 3.174 2.603 3.553 0.797 21 2 "[ . 1 . - 2+ . 3]" 1 3466 1 166 LEU QD 1 208 PHE QB 4.600 3.700 5.400 3.092 2.004 4.133 1.696 18 19 "[*** - ****** + *** *** **]" 1 3467 1 166 LEU QD 1 208 PHE QD 4.300 3.400 5.200 3.470 2.099 4.322 1.301 16 6 "[ *. ** 1 .+- *2 . 3]" 1 3468 1 166 LEU QD 1 209 GLY H 4.700 3.800 5.600 5.180 4.499 5.625 0.025 24 0 "[ . 1 . 2 . 3]" 1 3469 1 166 LEU QD 1 211 ILE H 5.000 4.000 5.300 4.955 4.608 5.210 . 0 0 "[ . 1 . 2 . 3]" 1 3470 1 166 LEU QD 1 211 ILE MD 3.900 3.500 4.700 2.107 1.667 3.282 1.833 6 29 "[*****+* ********-*************]" 1 3471 1 166 LEU QD 1 211 ILE MD 3.700 3.000 4.400 2.082 1.660 3.055 1.340 6 28 "[*****+* ******** ***-*********]" 1 3472 1 166 LEU HG 1 170 LEU QD 3.500 2.800 4.200 2.283 1.925 2.698 0.875 21 17 "[- * ******** *+ .*****]" 1 3473 1 167 THR H 1 167 THR HA 3.200 2.600 3.800 2.777 2.758 2.820 . 0 0 "[ . 1 . 2 . 3]" 1 3474 1 167 THR H 1 167 THR MG 4.400 3.500 4.600 3.755 3.704 3.767 . 0 0 "[ . 1 . 2 . 3]" 1 3475 1 167 THR H 1 168 VAL H 3.500 2.800 4.200 2.918 2.795 2.979 0.005 16 0 "[ . 1 . 2 . 3]" 1 3476 1 167 THR H 1 204 THR MG 5.100 4.100 6.100 5.412 5.096 6.111 0.011 8 0 "[ . 1 . 2 . 3]" 1 3477 1 167 THR H 1 208 PHE QD 4.700 3.800 5.600 5.527 4.349 6.062 0.462 30 0 "[ . 1 . 2 . 3]" 1 3478 1 167 THR HA 1 167 THR MG 3.800 3.400 4.600 2.355 2.245 2.422 1.155 17 30 [****************+*******-*****] 1 3479 1 167 THR HA 1 168 VAL H 3.400 2.700 4.100 3.576 3.555 3.589 . 0 0 "[ . 1 . 2 . 3]" 1 3480 1 167 THR HA 1 168 VAL QG 3.200 2.600 3.800 1.802 1.651 1.962 0.949 23 30 [***************-******+*******] 1 3481 1 167 THR HA 1 169 VAL H 3.200 2.600 3.800 2.774 2.752 2.812 . 0 0 "[ . 1 . 2 . 3]" 1 3482 1 167 THR HA 1 170 LEU H 3.200 2.600 3.800 3.377 3.315 3.434 . 0 0 "[ . 1 . 2 . 3]" 1 3483 1 167 THR HA 1 171 TRP H 3.500 2.800 4.200 3.692 3.593 3.816 . 0 0 "[ . 1 . 2 . 3]" 1 3484 1 167 THR HA 1 171 TRP HD1 4.500 3.600 5.400 4.379 3.844 4.858 . 0 0 "[ . 1 . 2 . 3]" 1 3485 1 167 THR HA 1 171 TRP HE1 3.900 3.100 4.700 5.019 4.602 5.532 0.832 8 7 "[ - * + 1 * .* **2 . 3]" 1 3486 1 167 THR HA 1 204 THR MG 5.100 4.100 6.100 3.708 3.446 4.098 0.654 10 7 "[- * . + *. * 2 . * *]" 1 3487 1 167 THR HB 1 168 VAL H . 3.700 4.000 2.358 2.243 2.467 1.457 6 30 [*****+***********-************] 1 3488 1 167 THR HB 1 169 VAL H 4.400 3.500 5.300 4.940 4.829 5.037 . 0 0 "[ . 1 . 2 . 3]" 1 3489 1 167 THR MG 1 168 VAL H 4.500 3.600 4.700 3.294 3.120 3.588 0.480 2 0 "[ . 1 . 2 . 3]" 1 3490 1 167 THR MG 1 168 VAL HA 4.400 3.500 5.300 3.377 3.206 3.770 0.294 2 0 "[ . 1 . 2 . 3]" 1 3491 1 167 THR MG 1 170 LEU H 5.100 4.100 6.100 5.279 5.038 5.523 . 0 0 "[ . 1 . 2 . 3]" 1 3492 1 167 THR MG 1 170 LEU QB 5.000 4.000 6.000 5.459 5.246 5.662 . 0 0 "[ . 1 . 2 . 3]" 1 3493 1 167 THR MG 1 171 TRP H 4.800 3.800 5.800 4.100 3.938 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 3494 1 167 THR MG 1 171 TRP HE1 3.900 3.100 4.700 3.486 2.945 3.934 0.155 30 0 "[ . 1 . 2 . 3]" 1 3495 1 167 THR MG 1 171 TRP HE3 5.900 4.700 7.100 3.371 2.759 3.799 1.941 7 30 [******+********************-**] 1 3496 1 167 THR MG 1 204 THR MG 5.700 4.600 6.800 2.743 2.101 3.608 2.499 28 30 [*****-*********************+**] 1 3497 1 168 VAL H 1 168 VAL HA 3.200 2.600 3.800 2.772 2.748 2.803 . 0 0 "[ . 1 . 2 . 3]" 1 3498 1 168 VAL H 1 168 VAL HB 3.000 2.400 3.600 2.513 2.377 2.703 0.023 28 0 "[ . 1 . 2 . 3]" 1 3499 1 168 VAL H 1 168 VAL QG 3.600 2.900 4.300 2.094 1.798 2.332 1.102 24 30 [-**********************+******] 1 3500 1 168 VAL H 1 169 VAL H 3.700 3.000 4.400 2.824 2.726 2.905 0.274 18 0 "[ . 1 . 2 . 3]" 1 3501 1 168 VAL H 1 169 VAL HB 3.900 3.100 4.700 5.010 4.764 5.175 0.475 24 0 "[ . 1 . 2 . 3]" 1 3502 1 168 VAL H 1 169 VAL QG 4.400 3.500 4.700 4.231 4.020 4.710 0.010 5 0 "[ . 1 . 2 . 3]" 1 3503 1 168 VAL H 1 170 LEU H 4.300 3.400 5.200 4.920 4.633 5.143 . 0 0 "[ . 1 . 2 . 3]" 1 3504 1 168 VAL HA 1 168 VAL HB 3.600 2.900 4.300 2.829 2.462 3.021 0.438 2 0 "[ . 1 . 2 . 3]" 1 3505 1 168 VAL HA 1 169 VAL H 3.700 3.000 4.400 3.549 3.534 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 3506 1 168 VAL HA 1 170 LEU H 3.900 3.100 4.700 5.165 4.853 5.503 0.803 6 8 "[ *.+* 1 . * -* **. 3]" 1 3507 1 168 VAL HA 1 171 TRP H 3.500 2.800 4.200 3.835 3.590 4.405 0.205 6 0 "[ . 1 . 2 . 3]" 1 3508 1 168 VAL HA 1 172 ALA H 3.800 3.000 4.600 4.057 3.888 4.216 . 0 0 "[ . 1 . 2 . 3]" 1 3509 1 168 VAL HA 1 172 ALA MB 4.600 3.700 5.500 4.179 3.855 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 3510 1 168 VAL HB 1 169 VAL H 3.800 3.000 4.000 3.082 2.560 3.885 0.440 20 0 "[ . 1 . 2 . 3]" 1 3511 1 168 VAL QG 1 169 VAL H 3.400 2.700 4.100 2.017 1.841 2.241 0.859 12 28 "[** **-*****+******** *********]" 1 3512 1 168 VAL QG 1 172 ALA H 3.900 3.100 4.700 4.048 3.807 4.359 . 0 0 "[ . 1 . 2 . 3]" 1 3513 1 168 VAL QG 1 172 ALA MB 3.900 3.100 4.700 2.751 2.633 2.890 0.467 10 0 "[ . 1 . 2 . 3]" 1 3514 1 169 VAL H 1 169 VAL HA 3.500 2.800 4.200 2.801 2.775 2.844 0.025 25 0 "[ . 1 . 2 . 3]" 1 3515 1 169 VAL H 1 169 VAL HB 3.300 2.600 4.000 2.473 2.162 2.575 0.438 5 0 "[ . 1 . 2 . 3]" 1 3516 1 169 VAL H 1 169 VAL HB 3.000 2.400 3.600 2.450 2.152 2.545 0.248 5 0 "[ . 1 . 2 . 3]" 1 3517 1 169 VAL H 1 169 VAL QG 3.200 2.700 3.800 2.170 1.996 2.833 0.704 16 20 "[-* *. ***1 * **+* ** ****** *3]" 1 3518 1 169 VAL H 1 170 LEU H 3.600 2.900 4.300 3.008 2.839 3.093 0.061 5 0 "[ . 1 . 2 . 3]" 1 3519 1 169 VAL H 1 170 LEU H 3.000 2.400 3.600 2.989 2.829 3.056 . 0 0 "[ . 1 . 2 . 3]" 1 3520 1 169 VAL H 1 170 LEU HG 3.700 3.000 4.400 3.996 3.826 4.192 . 0 0 "[ . 1 . 2 . 3]" 1 3521 1 169 VAL H 1 171 TRP H 4.300 3.400 5.200 3.976 3.833 4.152 . 0 0 "[ . 1 . 2 . 3]" 1 3522 1 169 VAL H 1 171 TRP H 3.000 2.400 3.600 3.078 2.739 3.227 . 0 0 "[ . 1 . 2 . 3]" 1 3523 1 169 VAL HA 1 169 VAL HB 3.400 2.700 4.100 3.007 2.725 3.022 . 0 0 "[ . 1 . 2 . 3]" 1 3524 1 169 VAL HA 1 169 VAL QG 3.100 2.500 3.600 2.129 2.076 2.146 0.424 21 0 "[ . 1 . 2 . 3]" 1 3525 1 169 VAL HA 1 172 ALA H 3.700 3.000 4.400 2.726 2.689 2.800 0.311 18 0 "[ . 1 . 2 . 3]" 1 3526 1 169 VAL HA 1 172 ALA MB 4.000 3.200 4.800 3.022 2.791 3.165 0.409 18 0 "[ . 1 . 2 . 3]" 1 3527 1 169 VAL HB 1 170 LEU H 3.700 3.000 4.400 2.241 2.128 3.369 0.872 16 29 [****.**********+*-************] 1 3528 1 169 VAL HB 1 170 LEU H 2.800 2.200 3.400 1.675 1.516 2.026 0.684 10 22 "[****.*- *+****** **** *** *3]" 1 3529 1 169 VAL HB 1 170 LEU HA 2.500 . 3.000 2.070 1.854 2.321 0.146 13 0 "[ . 1 . 2 . 3]" 1 3530 1 169 VAL QG 1 170 LEU H 3.800 3.000 4.600 2.688 1.962 2.808 1.038 5 1 "[ + 1 . 2 . 3]" 1 3531 1 169 VAL QG 1 170 LEU HA 4.600 3.700 5.500 2.985 2.772 3.094 0.928 5 30 [****+**********-**************] 1 3532 1 169 VAL QG 1 172 ALA MB 4.700 3.800 5.600 3.770 3.529 3.921 0.271 18 0 "[ . 1 . 2 . 3]" 1 3533 1 170 LEU H 1 170 LEU QB 3.400 2.700 4.100 2.757 2.480 2.906 0.220 18 0 "[ . 1 . 2 . 3]" 1 3534 1 170 LEU H 1 170 LEU QD 4.000 3.200 4.800 2.686 2.299 2.879 0.901 7 9 "[ *.*+ 1* . * 2 **. - *]" 1 3535 1 170 LEU H 1 170 LEU HG 3.400 2.700 4.100 1.739 1.542 2.239 1.158 10 29 "[*********+******* ***********-]" 1 3536 1 170 LEU H 1 171 TRP H 3.400 2.700 4.100 2.713 2.604 2.835 0.096 5 0 "[ . 1 . 2 . 3]" 1 3537 1 170 LEU H 1 172 ALA H 3.800 3.000 4.600 4.176 3.984 4.275 . 0 0 "[ . 1 . 2 . 3]" 1 3538 1 170 LEU HA 1 170 LEU QB 2.500 . 3.000 2.145 2.127 2.167 . 0 0 "[ . 1 . 2 . 3]" 1 3539 1 170 LEU HA 1 170 LEU QD . 3.300 3.700 3.409 3.356 3.439 . 0 0 "[ . 1 . 2 . 3]" 1 3540 1 170 LEU HA 1 170 LEU HG 3.200 2.600 3.800 3.561 3.468 3.658 . 0 0 "[ . 1 . 2 . 3]" 1 3541 1 170 LEU HA 1 171 TRP H 4.100 3.300 4.900 3.506 3.464 3.542 . 0 0 "[ . 1 . 2 . 3]" 1 3542 1 170 LEU HA 1 172 ALA H 4.200 3.400 5.000 4.111 3.955 4.296 . 0 0 "[ . 1 . 2 . 3]" 1 3543 1 170 LEU HA 1 173 ILE H 3.700 3.000 4.400 3.606 3.410 3.737 . 0 0 "[ . 1 . 2 . 3]" 1 3544 1 170 LEU HA 1 173 ILE MD 3.800 3.000 4.600 3.557 3.056 4.043 . 0 0 "[ . 1 . 2 . 3]" 1 3545 1 170 LEU HA 1 173 ILE QG 3.700 3.000 4.400 2.110 1.868 2.423 1.132 13 30 [******-*****+*****************] 1 3546 1 170 LEU QB 1 171 TRP H 3.900 3.100 4.700 3.469 3.287 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 3547 1 170 LEU QB 1 200 LEU HG 4.700 3.800 5.600 4.536 2.630 4.829 1.170 30 1 "[ . 1 . 2 . +]" 1 3548 1 170 LEU QB 1 204 THR MG 4.700 3.800 5.600 5.407 4.500 5.652 0.052 9 0 "[ . 1 . 2 . 3]" 1 3549 1 170 LEU QD 1 171 TRP H 4.500 3.600 4.600 2.135 1.655 2.871 1.945 24 30 [***********************+*****-] 1 3550 1 170 LEU QD 1 171 TRP HD1 4.100 3.900 4.900 1.841 1.746 2.010 2.154 28 30 [**********-****************+**] 1 3551 1 170 LEU QD 1 171 TRP HE1 3.800 3.000 4.600 3.202 3.001 3.343 . 0 0 "[ . 1 . 2 . 3]" 1 3552 1 170 LEU QD 1 173 ILE QG 2.900 2.300 3.500 4.088 3.527 4.280 0.780 6 27 "[*****+*****- **** ** *********]" 1 3553 1 170 LEU QD 1 199 TYR QE 5.500 4.400 6.600 5.083 4.628 5.660 . 0 0 "[ . 1 . 2 . 3]" 1 3554 1 170 LEU QD 1 200 LEU HA 3.900 3.100 4.700 3.780 3.175 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 3555 1 170 LEU QD 1 200 LEU QD 5.000 4.000 5.400 3.165 2.802 3.605 1.198 16 28 "[***** *********+**** *-*******]" 1 3556 1 170 LEU QD 1 203 VAL H 4.600 3.700 4.700 4.341 3.993 4.648 . 0 0 "[ . 1 . 2 . 3]" 1 3557 1 170 LEU QD 1 204 THR H 3.700 3.000 4.400 2.248 2.029 2.974 0.971 23 24 "[* -**** **** ** * ****+ ******]" 1 3558 1 170 LEU QD 1 204 THR H 4.800 3.800 4.800 3.254 2.936 3.577 0.864 30 18 "[* **** 1 *- * ** 2* *** ***+]" 1 3559 1 170 LEU QD 1 204 THR HA 3.900 3.100 4.700 2.700 2.270 3.021 0.830 21 11 "[* *.** 1 * . ** 2+ *-. *3]" 1 3560 1 170 LEU HG 1 171 TRP H 4.300 3.400 4.300 2.945 2.281 3.583 1.119 18 19 "[- * * **1 ***** +** ******]" 1 3561 1 170 LEU HG 1 171 TRP HD1 5.200 4.200 6.200 4.321 3.501 4.846 0.699 30 2 "[ . 1 . 2 . - +]" 1 3562 1 171 TRP H 1 171 TRP HD1 4.100 3.300 4.900 3.211 2.782 3.426 0.518 6 1 "[ .+ 1 . 2 . 3]" 1 3563 1 171 TRP H 1 171 TRP HE1 4.200 3.600 5.000 5.504 5.226 5.681 0.681 8 19 "[*-* * + 1 ***** **2** * ****]" 1 3564 1 171 TRP H 1 172 ALA H 3.400 2.800 4.100 2.502 2.421 2.596 0.379 11 0 "[ . 1 . 2 . 3]" 1 3565 1 171 TRP H 1 172 ALA MB 4.500 3.600 4.900 4.203 4.068 4.314 . 0 0 "[ . 1 . 2 . 3]" 1 3566 1 171 TRP H 1 174 TYR QD 4.900 3.900 5.900 4.511 4.277 4.707 . 0 0 "[ . 1 . 2 . 3]" 1 3567 1 171 TRP HD1 1 200 LEU QD 4.500 3.600 5.200 3.099 2.762 3.463 0.838 30 17 "[* * * *1 ***** *** *-* *+]" 1 3568 1 171 TRP HD1 1 200 LEU QB 4.900 3.900 5.900 4.433 4.006 5.109 . 0 0 "[ . 1 . 2 . 3]" 1 3569 1 171 TRP HD1 1 204 THR MG 4.200 3.400 5.000 3.959 3.495 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 3570 1 171 TRP HE1 1 204 THR HA 3.900 3.100 4.700 4.790 4.284 5.400 0.700 24 4 "[ -. * 1 . 2 *+. 3]" 1 3571 1 171 TRP HE1 1 204 THR HB 3.500 2.800 4.200 3.412 2.836 3.926 . 0 0 "[ . 1 . 2 . 3]" 1 3572 1 171 TRP HE1 1 204 THR MG . 3.900 4.800 2.165 1.819 2.534 2.081 6 30 [*****+-***********************] 1 3573 1 172 ALA H 1 172 ALA HA 3.700 3.000 4.400 2.854 2.835 2.872 0.165 21 0 "[ . 1 . 2 . 3]" 1 3574 1 172 ALA H 1 172 ALA MB 3.300 2.600 4.000 2.230 2.053 2.274 0.547 21 2 "[ . 1 - . 2+ . 3]" 1 3575 1 172 ALA H 1 173 ILE H 3.600 2.900 4.300 2.543 2.460 2.598 0.440 11 0 "[ . 1 . 2 . 3]" 1 3576 1 172 ALA H 1 174 TYR H 3.700 3.000 4.400 4.261 4.096 4.434 0.034 13 0 "[ . 1 . 2 . 3]" 1 3577 1 172 ALA H 1 174 TYR QD 5.300 4.200 6.400 4.607 4.410 4.855 . 0 0 "[ . 1 . 2 . 3]" 1 3578 1 172 ALA MB 1 173 ILE H 3.700 3.000 4.400 3.204 3.158 3.227 . 0 0 "[ . 1 . 2 . 3]" 1 3579 1 172 ALA MB 1 173 ILE QG 3.600 2.900 4.300 3.537 3.420 3.633 . 0 0 "[ . 1 . 2 . 3]" 1 3580 1 172 ALA MB 1 176 PHE QD 5.700 4.600 6.800 4.779 3.744 4.944 0.856 13 2 "[ . 1 + . 2- . 3]" 1 3581 1 172 ALA MB 1 176 PHE QE 5.500 4.400 6.600 3.770 3.533 4.010 0.867 12 28 "[**********-+ ******* *********]" 1 3582 1 173 ILE H 1 173 ILE HB 3.900 3.100 4.700 2.603 2.513 2.705 0.587 6 15 "[* * -+** 1* .* * ** ** **3]" 1 3583 1 173 ILE H 1 173 ILE HB 2.900 2.300 3.500 2.055 1.852 2.160 0.448 21 0 "[ . 1 . 2 . 3]" 1 3584 1 173 ILE H 1 173 ILE MD 4.000 3.200 4.800 3.196 2.970 3.403 0.230 10 0 "[ . 1 . 2 . 3]" 1 3585 1 173 ILE H 1 173 ILE QG . 3.200 3.800 2.160 1.886 2.355 1.314 21 30 [*****-**************+*********] 1 3586 1 173 ILE H 1 173 ILE QG 3.700 3.000 4.400 1.674 1.600 1.791 1.400 11 30 [**********+*-*****************] 1 3587 1 173 ILE H 1 173 ILE MG 3.800 3.000 4.600 3.792 3.767 3.803 . 0 0 "[ . 1 . 2 . 3]" 1 3588 1 173 ILE H 1 174 TYR QD 4.900 3.900 5.300 3.707 3.220 4.048 0.680 13 3 "[ .* 1 + . - 2 . 3]" 1 3589 1 173 ILE H 1 176 PHE QB 4.300 3.400 5.200 5.848 5.793 5.931 0.731 13 30 [*********-**+*****************] 1 3590 1 173 ILE H 1 200 LEU QD 4.800 3.800 5.300 3.802 3.422 4.245 0.378 30 0 "[ . 1 . 2 . 3]" 1 3591 1 173 ILE HA 1 173 ILE MD 3.600 2.900 4.300 1.959 1.915 2.017 0.985 16 30 [*********-*****+**************] 1 3592 1 173 ILE HA 1 173 ILE QG 4.000 3.200 4.700 3.022 2.942 3.105 0.258 6 0 "[ . 1 . 2 . 3]" 1 3593 1 173 ILE HA 1 173 ILE QG 3.800 3.000 4.600 2.946 2.738 3.043 0.262 13 0 "[ . 1 . 2 . 3]" 1 3594 1 173 ILE HA 1 173 ILE MG 3.600 2.900 4.300 2.316 2.127 2.388 0.773 21 30 [*****-**************+*********] 1 3595 1 173 ILE HA 1 174 TYR H 3.800 3.000 4.600 1.791 1.690 2.349 1.310 16 30 [************-**+**************] 1 3596 1 173 ILE HA 1 176 PHE H 3.700 3.000 4.400 3.627 3.559 3.690 . 0 0 "[ . 1 . 2 . 3]" 1 3597 1 173 ILE HA 1 176 PHE QB 4.400 3.500 5.300 3.475 3.370 3.966 0.130 30 0 "[ . 1 . 2 . 3]" 1 3598 1 173 ILE HA 1 176 PHE QD 3.900 3.100 4.700 1.804 1.697 2.416 1.403 16 30 [************-**+**************] 1 3599 1 173 ILE HA 1 177 ILE H 3.400 2.700 4.100 4.609 3.725 4.819 0.719 11 19 "[****.* ***+ **** *2 * ** -*3]" 1 3600 1 173 ILE HA 1 200 LEU QD 5.300 4.200 6.400 4.389 3.763 4.821 0.437 21 0 "[ . 1 . 2 . 3]" 1 3601 1 173 ILE HB 1 200 LEU QD 3.900 3.100 4.200 2.261 1.800 2.736 1.300 21 28 "[***** -*** *********+*********]" 1 3602 1 173 ILE HB 1 174 TYR H 4.200 3.400 5.000 3.028 2.772 3.107 0.628 13 2 "[ . 1 + . 2- . 3]" 1 3603 1 173 ILE HB 1 177 ILE MD 4.500 3.600 5.400 2.311 1.872 2.736 1.728 30 30 [**********-******************+] 1 3604 1 173 ILE HB 1 200 LEU QD 4.900 3.900 5.900 2.334 1.874 2.840 2.026 21 30 [**********-*********+*********] 1 3605 1 173 ILE MD 1 177 ILE MD 3.400 2.700 4.100 1.851 1.672 2.262 1.028 11 28 "[**********+* ******* **-******]" 1 3606 1 173 ILE MD 1 200 LEU QD 3.800 3.000 4.600 2.287 1.699 2.579 1.301 21 28 "[* ****************-*+** ******]" 1 3607 1 173 ILE MD 1 177 ILE MD 3.900 3.100 4.700 3.735 3.239 3.950 . 0 0 "[ . 1 . 2 . 3]" 1 3608 1 173 ILE MD 1 200 LEU QD 4.700 3.800 5.400 4.095 3.389 4.495 0.411 21 0 "[ . 1 . 2 . 3]" 1 3609 1 173 ILE QG 1 174 TYR H 4.400 3.500 5.300 3.187 3.043 3.326 0.457 19 0 "[ . 1 . 2 . 3]" 1 3610 1 173 ILE QG 1 176 PHE QB 4.400 3.500 5.300 3.170 2.950 4.385 0.550 24 2 "[ - 1 . 2 +. 3]" 1 3611 1 173 ILE QG 1 200 LEU QD 3.300 2.600 4.000 1.841 1.730 1.988 0.870 30 30 [***************-*************+] 1 3612 1 173 ILE QG 1 200 LEU QD 5.300 4.200 6.400 1.881 1.814 2.307 2.386 22 30 [*********************+*******-] 1 3613 1 173 ILE QG 1 200 LEU QD 5.100 4.100 6.100 3.049 2.325 3.578 1.775 21 30 [**********-*********+*********] 1 3614 1 173 ILE MG 1 174 TYR H 4.200 3.400 5.000 3.529 3.451 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 3615 1 173 ILE MG 1 176 PHE H 3.800 3.000 4.600 4.064 3.919 4.666 0.066 13 0 "[ . 1 . 2 . 3]" 1 3616 1 173 ILE MG 1 176 PHE QB 4.300 3.400 5.200 2.465 2.095 3.323 1.305 20 28 "[************ ******+ -********]" 1 3617 1 173 ILE MG 1 176 PHE QD 4.200 3.400 5.000 2.514 2.050 2.776 1.350 13 30 [*********-**+*****************] 1 3618 1 173 ILE MG 1 177 ILE H 3.500 2.800 4.200 3.372 3.158 3.551 . 0 0 "[ . 1 . 2 . 3]" 1 3619 1 173 ILE MG 1 177 ILE MG 3.700 3.000 4.400 3.770 3.042 4.028 . 0 0 "[ . 1 . 2 . 3]" 1 3620 1 173 ILE MG 1 200 LEU QD 4.100 3.300 4.900 2.493 1.720 2.955 1.580 21 28 "[******** -******** *+*********]" 1 3621 1 174 TYR H 1 174 TYR QD 4.000 3.200 4.800 2.537 1.931 2.845 1.269 13 23 "[ **.*** ***+******2**-*.****3]" 1 3622 1 174 TYR H 1 177 ILE MD 4.300 3.400 5.200 5.220 4.682 5.905 0.705 13 2 "[ . 1 + . 2- . 3]" 1 3623 1 174 TYR H 1 200 LEU QD 4.500 3.600 5.400 3.296 2.861 3.700 0.739 21 3 "[ . 1 - . 2+ . *]" 1 3624 1 174 TYR HA 1 176 PHE H 3.800 3.000 4.600 3.980 3.853 4.580 . 0 0 "[ . 1 . 2 . 3]" 1 3625 1 174 TYR HA 1 177 ILE H . 3.500 3.700 3.269 3.077 3.808 0.423 11 0 "[ . 1 . 2 . 3]" 1 3626 1 174 TYR HA 1 177 ILE HB 4.100 3.300 4.700 3.059 2.541 3.286 0.759 24 1 "[ . 1 . 2 +. 3]" 1 3627 1 174 TYR HA 1 177 ILE MD 4.000 3.200 4.800 4.192 3.553 5.139 0.339 21 0 "[ . 1 . 2 . 3]" 1 3628 1 174 TYR HA 1 177 ILE MD 4.700 3.800 5.600 2.635 2.389 2.892 1.411 5 30 [****+-************************] 1 3629 1 174 TYR HA 1 177 ILE QG 3.900 3.400 4.700 2.520 1.925 3.570 1.475 11 28 "[**********+* ******* **-******]" 1 3630 1 174 TYR HA 1 178 TRP H 3.400 2.700 4.100 3.851 3.685 4.019 . 0 0 "[ . 1 . 2 . 3]" 1 3631 1 174 TYR HA 1 197 ILE MD 4.200 3.400 5.000 3.539 3.038 3.890 0.362 21 0 "[ . 1 . 2 . 3]" 1 3632 1 174 TYR HA 1 200 LEU QD 5.300 4.200 6.400 2.671 2.398 2.976 1.802 5 30 [****+-************************] 1 3633 1 174 TYR QD 1 197 ILE MD 5.300 4.200 6.400 2.902 2.520 3.317 1.680 5 30 [****+*******-*****************] 1 3634 1 174 TYR HH 1 201 ASP H 4.200 3.400 5.000 3.391 2.410 4.260 0.990 18 13 "[* * * * * * ** + - . ***]" 1 3635 1 176 PHE H 1 176 PHE HA 3.200 2.600 3.800 2.879 2.870 2.882 . 0 0 "[ . 1 . 2 . 3]" 1 3636 1 176 PHE H 1 176 PHE QB 3.600 2.900 3.700 2.417 2.309 2.478 0.591 21 8 "[ * . * * * . 2+** . -3]" 1 3637 1 176 PHE H 1 176 PHE QE 4.300 3.400 5.200 4.439 4.224 4.947 . 0 0 "[ . 1 . 2 . 3]" 1 3638 1 176 PHE H 1 177 ILE H 3.200 2.600 3.700 2.516 2.445 2.547 0.155 19 0 "[ . 1 . 2 . 3]" 1 3639 1 176 PHE H 1 177 ILE HB 4.000 3.200 4.000 5.043 4.700 5.166 1.166 2 30 [*+******************-*********] 1 3640 1 176 PHE H 1 177 ILE QG . 3.800 4.200 3.611 3.368 4.111 0.432 11 0 "[ . 1 . 2 . 3]" 1 3641 1 176 PHE H 1 178 TRP H 3.800 3.000 4.600 3.974 3.808 4.135 . 0 0 "[ . 1 . 2 . 3]" 1 3642 1 176 PHE H 1 178 TRP H 4.200 3.400 5.000 3.780 3.683 3.892 . 0 0 "[ . 1 . 2 . 3]" 1 3643 1 176 PHE HA 1 176 PHE QD 4.300 3.400 5.200 2.645 2.308 3.578 1.092 5 28 "[****+******* ******* ***-*****]" 1 3644 1 176 PHE HA 1 177 ILE H 3.300 2.600 4.000 3.548 3.509 3.563 . 0 0 "[ . 1 . 2 . 3]" 1 3645 1 176 PHE HA 1 179 LEU H 4.200 3.400 5.000 3.691 3.184 4.006 0.216 21 0 "[ . 1 . 2 . 3]" 1 3646 1 176 PHE HA 1 179 LEU QB 3.900 3.100 4.700 2.981 2.372 3.304 0.728 21 1 "[ . 1 . 2+ . 3]" 1 3647 1 176 PHE HA 1 180 LEU H 3.600 2.900 4.300 3.609 3.391 4.647 0.347 13 0 "[ . 1 . 2 . 3]" 1 3648 1 176 PHE QB 1 176 PHE QE 5.100 4.100 6.100 3.913 3.886 3.926 0.214 13 0 "[ . 1 . 2 . 3]" 1 3649 1 176 PHE QB 1 177 ILE H . 3.700 4.200 2.439 2.278 3.481 1.422 24 28 "[************ *****-* **+******]" 1 3650 1 176 PHE QB 1 177 ILE H 3.200 2.600 3.800 2.423 2.272 3.347 0.328 24 0 "[ . 1 . 2 . 3]" 1 3651 1 176 PHE QB 1 177 ILE HA 4.400 3.500 5.300 2.810 2.557 3.075 0.943 17 27 "[************* **+**2 *******-*]" 1 3652 1 176 PHE QB 1 177 ILE MD 4.900 4.200 5.900 2.715 2.428 4.751 1.772 29 28 "[************ ******* **-****+*]" 1 3653 1 176 PHE QB 1 177 ILE QG 4.400 3.500 5.300 2.984 2.851 3.484 0.649 24 25 "[*-*******1 * ***** * **+******]" 1 3654 1 176 PHE QB 1 180 LEU QB 4.500 3.600 5.400 3.848 3.744 4.141 . 0 0 "[ . 1 . 2 . 3]" 1 3655 1 176 PHE QB 1 180 LEU QD 4.700 3.800 5.600 2.671 2.166 3.394 1.634 20 28 "[************ ******+ -********]" 1 3656 1 176 PHE QD 1 177 ILE QG 5.000 4.000 6.000 4.201 3.481 4.416 0.519 13 1 "[ . 1 + . 2 . 3]" 1 3657 1 176 PHE QD 1 179 LEU QB 4.800 3.800 5.800 4.548 4.142 5.001 . 0 0 "[ . 1 . 2 . 3]" 1 3658 1 176 PHE QE 1 180 LEU QD 4.500 3.600 5.400 4.411 2.326 4.726 1.274 13 2 "[ . 1 + . 2- . 3]" 1 3659 1 177 ILE H 1 177 ILE HA 3.200 2.600 3.800 2.802 2.782 2.824 . 0 0 "[ . 1 . 2 . 3]" 1 3660 1 177 ILE H 1 177 ILE HB . 3.000 3.500 2.844 2.525 2.941 0.475 13 0 "[ . 1 . 2 . 3]" 1 3661 1 177 ILE H 1 177 ILE MD 3.900 3.100 4.300 2.553 2.336 3.427 0.764 10 23 "[****** * +** ******2 ** *-***3]" 1 3662 1 177 ILE H 1 177 ILE QG . 3.200 3.600 1.763 1.633 2.197 1.567 11 30 [**********+*-*****************] 1 3663 1 177 ILE H 1 177 ILE MG 4.000 3.200 4.200 3.697 3.661 3.779 . 0 0 "[ . 1 . 2 . 3]" 1 3664 1 177 ILE H 1 178 TRP H 3.600 2.900 4.300 2.731 2.652 2.839 0.248 21 0 "[ . 1 . 2 . 3]" 1 3665 1 177 ILE H 1 178 TRP H 3.200 2.600 3.800 2.702 2.605 2.798 . 0 0 "[ . 1 . 2 . 3]" 1 3666 1 177 ILE H 1 179 LEU H 3.700 3.000 4.400 4.317 3.802 4.672 0.272 24 0 "[ . 1 . 2 . 3]" 1 3667 1 177 ILE HA 1 177 ILE MD 3.700 3.500 4.400 2.286 2.012 2.415 1.488 13 30 [************+*****-***********] 1 3668 1 177 ILE HA 1 177 ILE QG 4.400 3.500 5.300 3.132 2.823 3.201 0.677 21 2 "[ . 1 - . 2+ . 3]" 1 3669 1 177 ILE HA 1 177 ILE MG 3.500 3.400 4.200 2.196 2.138 2.410 1.262 29 30 [********************-*******+*] 1 3670 1 177 ILE HA 1 178 TRP H 4.100 3.300 4.900 3.534 3.490 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 3671 1 177 ILE HA 1 181 GLY H 3.900 3.100 4.700 3.253 2.967 3.852 0.133 1 0 "[ . 1 . 2 . 3]" 1 3672 1 177 ILE HB 1 177 ILE MD 3.600 3.500 4.300 3.239 3.232 3.242 0.268 21 0 "[ . 1 . 2 . 3]" 1 3673 1 177 ILE HB 1 178 TRP H . 3.400 4.200 2.773 2.459 2.938 0.941 13 27 "[************+**** **** *.*-***]" 1 3674 1 177 ILE HB 1 197 ILE MD 3.700 3.000 4.400 2.033 1.768 2.668 1.232 29 28 "[************ *******-** ****+*]" 1 3675 1 177 ILE HB 1 200 LEU QD 5.500 4.400 6.600 3.309 2.952 3.690 1.448 20 30 [*******************+*********-] 1 3676 1 177 ILE MD 1 177 ILE MG 3.700 3.000 4.400 1.973 1.927 2.046 1.073 1 30 [+****************-************] 1 3677 1 177 ILE MD 1 178 TRP H 4.800 3.800 5.600 4.456 4.368 4.685 . 0 0 "[ . 1 . 2 . 3]" 1 3678 1 177 ILE MD 1 197 ILE QG 5.000 4.100 6.000 3.185 3.057 3.300 1.043 28 30 [*************-*************+**] 1 3679 1 177 ILE MD 1 196 LEU QD 4.900 3.900 5.900 2.429 2.040 2.985 1.860 25 30 [************-***********+*****] 1 3680 1 177 ILE MD 1 197 ILE H 4.600 3.700 5.500 5.020 4.793 5.699 0.199 13 0 "[ . 1 . 2 . 3]" 1 3681 1 177 ILE MD 1 197 ILE MD 4.500 3.600 5.200 3.991 3.836 4.201 . 0 0 "[ . 1 . 2 . 3]" 1 3682 1 177 ILE MD 1 200 LEU QD . 4.000 4.200 2.933 2.376 3.357 1.624 11 30 [**********+*-*****************] 1 3683 1 177 ILE QG 1 177 ILE MG 3.600 2.900 4.300 1.833 1.743 2.164 1.157 16 30 [************-**+**************] 1 3684 1 177 ILE QG 1 178 TRP H . 3.700 4.100 3.677 3.461 3.984 0.239 19 0 "[ . 1 . 2 . 3]" 1 3685 1 177 ILE QG 1 200 LEU QD 5.700 4.600 6.800 1.905 1.822 2.368 2.778 22 30 [*********************+*******-] 1 3686 1 177 ILE MG 1 178 TRP H 4.100 3.300 4.900 3.865 3.226 3.989 0.074 13 0 "[ . 1 . 2 . 3]" 1 3687 1 177 ILE MG 1 181 GLY H 4.600 3.700 5.500 3.866 3.281 4.261 0.419 13 0 "[ . 1 . 2 . 3]" 1 3688 1 177 ILE MG 1 181 GLY QA 3.900 3.100 4.700 3.513 3.276 3.809 . 0 0 "[ . 1 . 2 . 3]" 1 3689 1 177 ILE MG 1 197 ILE QG 3.900 3.100 4.700 1.944 1.807 2.581 1.293 16 30 [************-**+**************] 1 3690 1 177 ILE MG 1 200 LEU QD 5.400 4.300 6.500 3.039 2.725 3.296 1.575 11 30 [**********+******************-] 1 3691 1 178 TRP H 1 178 TRP QB 3.400 2.700 4.100 2.282 2.236 2.304 0.464 21 0 "[ . 1 . 2 . 3]" 1 3692 1 178 TRP H 1 178 TRP HD1 4.800 3.800 5.800 5.027 4.923 5.106 . 0 0 "[ . 1 . 2 . 3]" 1 3693 1 178 TRP H 1 178 TRP HE3 4.300 3.400 5.200 4.656 4.529 4.802 . 0 0 "[ . 1 . 2 . 3]" 1 3694 1 178 TRP QB 1 178 TRP HE1 . 4.200 4.300 4.429 4.415 4.443 0.143 24 0 "[ . 1 . 2 . 3]" 1 3695 1 178 TRP QB 1 179 LEU H 3.500 2.800 4.200 2.474 2.199 2.813 0.601 24 3 "[ * - 1 . 2 +. 3]" 1 3696 1 178 TRP QB 1 179 LEU QD 4.900 3.900 5.900 4.534 4.128 4.801 . 0 0 "[ . 1 . 2 . 3]" 1 3697 1 178 TRP HE3 1 179 LEU H . 3.700 4.200 2.850 2.349 3.334 1.351 7 27 "[*-****+*** ********* * *******]" 1 3698 1 178 TRP HE3 1 179 LEU HA 4.000 3.300 4.800 2.361 2.094 2.678 1.206 4 30 [***+******************-*******] 1 3699 1 178 TRP HE3 1 179 LEU QB 4.100 3.800 4.900 2.787 2.130 3.445 1.670 7 28 "[* ****+*** *********-*********]" 1 3700 1 178 TRP HE3 1 179 LEU QB 4.300 3.400 5.200 2.759 2.127 3.387 1.273 7 20 "[- ****+*** * **** * **** *]" 1 3701 1 178 TRP HE3 1 179 LEU QD 4.700 3.800 5.600 2.929 2.602 3.545 1.198 10 28 "[********-+*********2****** ***]" 1 3702 1 178 TRP HE3 1 179 LEU HG 4.000 3.200 4.800 4.550 2.992 5.093 0.293 2 0 "[ . 1 . 2 . 3]" 1 3703 1 178 TRP HE3 1 184 GLY H 3.600 2.900 4.300 5.382 5.049 5.602 1.302 8 30 [*******+**************-*******] 1 3704 1 178 TRP HZ3 1 179 LEU QD . 4.100 4.600 2.506 1.994 3.327 2.106 7 30 [******+************-**********] 1 3705 1 178 TRP HZ3 1 184 GLY H 4.200 3.400 5.000 5.722 4.963 6.032 1.032 8 21 "[** ** +*1 ********2* *-****]" 1 3706 1 179 LEU H 1 179 LEU HA 3.200 2.600 3.800 2.832 2.800 2.886 . 0 0 "[ . 1 . 2 . 3]" 1 3707 1 179 LEU H 1 179 LEU QB 3.600 2.900 4.000 2.202 2.110 2.274 0.790 20 30 [*******************+**-*******] 1 3708 1 179 LEU H 1 179 LEU QB 3.000 2.400 3.600 2.197 2.104 2.268 0.296 20 0 "[ . 1 . 2 . 3]" 1 3709 1 179 LEU H 1 179 LEU QD 4.000 3.400 4.800 3.645 3.480 3.756 . 0 0 "[ . 1 . 2 . 3]" 1 3710 1 179 LEU HA 1 180 LEU H 3.200 2.600 3.800 3.443 3.402 3.464 . 0 0 "[ . 1 . 2 . 3]" 1 3711 1 179 LEU HA 1 181 GLY H 3.200 2.600 3.800 2.194 2.185 2.211 0.415 21 0 "[ . 1 . 2 . 3]" 1 3712 1 179 LEU QB 1 180 LEU H 2.800 2.200 3.400 2.159 2.099 2.411 0.101 23 0 "[ . 1 . 2 . 3]" 1 3713 1 179 LEU QB 1 185 VAL QG 3.000 2.400 3.600 2.212 1.669 2.487 0.731 23 3 "[ . * 1 . 2 +-. 3]" 1 3714 1 179 LEU QB 1 180 LEU H 4.100 3.300 4.900 2.309 2.213 2.647 1.087 23 30 [************-*********+*******] 1 3715 1 179 LEU QB 1 185 VAL QG 3.500 2.800 4.200 2.329 2.064 2.502 0.736 11 10 "[ * -*+* * * ** . *]" 1 3716 1 179 LEU QD 1 180 LEU H 4.200 3.400 5.000 3.283 2.979 3.694 0.421 27 0 "[ . 1 . 2 . 3]" 1 3717 1 179 LEU QD 1 184 GLY H 5.100 4.100 6.100 4.749 3.702 5.373 0.398 20 0 "[ . 1 . 2 . 3]" 1 3718 1 179 LEU QD 1 185 VAL H 4.600 3.700 5.500 3.254 1.963 4.290 1.737 20 12 "[ *.** ** * ** +*- *. 3]" 1 3719 1 179 LEU HG 1 185 VAL H 3.700 3.000 4.400 3.849 2.590 4.807 0.410 24 0 "[ . 1 . 2 . 3]" 1 3720 1 180 LEU H 1 180 LEU HA 3.400 2.700 3.800 2.836 2.797 2.874 . 0 0 "[ . 1 . 2 . 3]" 1 3721 1 180 LEU H 1 180 LEU QB 3.100 2.500 3.700 2.620 2.548 2.788 . 0 0 "[ . 1 . 2 . 3]" 1 3722 1 180 LEU H 1 180 LEU QB 3.800 3.000 4.600 2.195 2.141 2.343 0.859 10 30 [******-**+********************] 1 3723 1 180 LEU H 1 180 LEU HG 2.900 2.300 3.500 2.147 1.927 2.350 0.373 13 0 "[ . 1 . 2 . 3]" 1 3724 1 180 LEU H 1 180 LEU HG 3.600 2.900 4.300 2.142 1.925 2.341 0.975 13 30 [*********-**+*****************] 1 3725 1 180 LEU H 1 181 GLY H 3.100 2.700 3.700 2.689 2.562 2.863 0.138 4 0 "[ . 1 . 2 . 3]" 1 3726 1 180 LEU HA 1 180 LEU QD 3.800 3.000 4.600 2.113 1.978 2.341 1.022 30 30 [************-****************+] 1 3727 1 180 LEU HA 1 180 LEU HG 3.600 2.900 4.300 2.967 2.773 3.159 0.127 3 0 "[ . 1 . 2 . 3]" 1 3728 1 180 LEU HA 1 181 GLY H 3.400 2.700 4.100 3.576 3.505 3.604 . 0 0 "[ . 1 . 2 . 3]" 1 3729 1 180 LEU HA 1 185 VAL H 3.900 3.100 4.700 3.582 3.289 3.944 . 0 0 "[ . 1 . 2 . 3]" 1 3730 1 180 LEU HA 1 185 VAL QG 3.600 2.900 4.300 2.058 1.760 2.501 1.140 24 28 "[************ ******* **+****-*]" 1 3731 1 180 LEU HA 1 186 ALA H 4.400 3.500 5.300 3.892 3.031 5.561 0.469 23 0 "[ . 1 . 2 . 3]" 1 3732 1 180 LEU HA 1 187 LEU HG 4.000 3.200 4.800 2.297 1.931 2.482 1.269 13 30 [************+******-**********] 1 3733 1 180 LEU HA 1 188 LEU H 3.200 2.600 3.800 5.464 4.725 5.933 2.133 15 30 [**************+*******-*******] 1 3734 1 180 LEU QB 1 181 GLY H 3.500 3.000 4.200 2.547 2.335 2.920 0.665 22 15 "[*** .* **-* * 2*+* . ***]" 1 3735 1 180 LEU QB 1 187 LEU H 2.800 2.200 3.400 2.197 2.014 2.289 0.186 7 0 "[ . 1 . 2 . 3]" 1 3736 1 180 LEU QB 1 187 LEU QD 2.600 2.100 3.100 1.639 1.572 1.700 0.528 21 8 "[ .* 1 ** * - 2+ . **]" 1 3737 1 180 LEU QB 1 188 LEU H 2.600 2.100 3.100 2.337 2.295 2.708 . 0 0 "[ . 1 . 2 . 3]" 1 3738 1 180 LEU QB 1 187 LEU HG 2.500 . 3.000 2.254 2.212 2.306 . 0 0 "[ . 1 . 2 . 3]" 1 3739 1 180 LEU QB 1 188 LEU H 3.200 2.600 3.800 2.810 2.422 3.838 0.178 29 0 "[ . 1 . 2 . 3]" 1 3740 1 180 LEU QD 1 181 GLY H 3.700 3.000 4.400 3.920 3.562 4.038 . 0 0 "[ . 1 . 2 . 3]" 1 3741 1 180 LEU QD 1 185 VAL HB 4.000 3.200 4.800 2.523 1.918 2.907 1.282 24 17 "[ **-* **** .* * * **+*** 3]" 1 3742 1 180 LEU QD 1 187 LEU QB 3.300 2.600 4.000 1.891 1.642 1.953 0.958 18 30 [*****************+***-********] 1 3743 1 180 LEU HG 1 185 VAL QG 4.300 3.400 5.200 4.440 4.017 5.195 . 0 0 "[ . 1 . 2 . 3]" 1 3744 1 181 GLY H 1 184 GLY H 4.200 3.400 5.000 4.687 4.235 5.784 0.784 22 4 "[ . ** . 2 +- . 3]" 1 3745 1 181 GLY H 1 184 GLY H 3.400 2.700 4.100 3.283 3.021 4.034 . 0 0 "[ . 1 . 2 . 3]" 1 3746 1 181 GLY H 1 185 VAL H 3.200 2.600 3.800 2.406 1.787 3.838 0.813 23 12 "[* * . * ** *. * *2 *+ . -*3]" 1 3747 1 181 GLY QA 1 188 LEU H 3.100 2.500 3.700 3.785 3.307 4.112 0.412 4 0 "[ . 1 . 2 . 3]" 1 3748 1 184 GLY H 1 184 GLY QA 2.900 2.600 3.500 2.325 2.196 2.398 0.404 11 0 "[ . 1 . 2 . 3]" 1 3749 1 184 GLY H 1 185 VAL H 3.500 2.800 4.100 3.322 2.680 3.873 0.120 23 0 "[ . 1 . 2 . 3]" 1 3750 1 184 GLY H 1 185 VAL QG 4.400 3.500 4.900 4.293 3.997 4.509 . 0 0 "[ . 1 . 2 . 3]" 1 3751 1 184 GLY H 1 186 ALA H 4.100 3.300 4.900 3.408 3.060 4.845 0.240 1 0 "[ . 1 . 2 . 3]" 1 3752 1 184 GLY QA 1 185 VAL H 3.300 2.600 4.000 2.207 2.065 2.610 0.535 20 10 "[ * *1 * .- * + *** *]" 1 3753 1 184 GLY QA 1 185 VAL H 2.800 2.200 3.400 2.138 2.009 2.432 0.191 20 0 "[ . 1 . 2 . 3]" 1 3754 1 184 GLY QA 1 185 VAL QG 3.200 2.800 3.800 2.164 2.108 2.218 0.692 23 30 [******-***************+*******] 1 3755 1 184 GLY QA 1 186 ALA H 3.300 2.600 4.000 3.012 2.218 3.341 0.382 4 0 "[ . 1 . 2 . 3]" 1 3756 1 184 GLY QA 1 185 VAL HB 3.900 3.100 4.700 5.296 5.263 5.323 0.623 24 30 [****************-******+******] 1 3757 1 184 GLY QA 1 185 VAL QG 3.600 2.900 4.300 3.065 2.920 3.182 . 0 0 "[ . 1 . 2 . 3]" 1 3758 1 185 VAL H 1 185 VAL HA 3.800 3.000 4.600 2.878 2.757 2.948 0.243 20 0 "[ . 1 . 2 . 3]" 1 3759 1 185 VAL H 1 185 VAL HB 3.500 2.800 4.200 3.673 3.574 3.835 . 0 0 "[ . 1 . 2 . 3]" 1 3760 1 185 VAL H 1 185 VAL QG 3.600 2.900 4.000 1.940 1.755 2.217 1.145 26 30 [**********************-**+****] 1 3761 1 185 VAL H 1 186 ALA H 3.900 3.100 4.700 2.431 1.788 4.018 1.312 23 16 "[*** . * ** -** * *2**+ . **3]" 1 3762 1 185 VAL H 1 186 ALA HA 3.800 3.000 4.600 4.540 3.874 5.122 0.522 24 2 "[ . - 1 . 2 +. 3]" 1 3763 1 185 VAL H 1 187 LEU H 4.300 3.400 5.200 5.085 4.413 5.743 0.543 20 2 "[ . 1 . + . - 3]" 1 3764 1 185 VAL HA 1 185 VAL HB 3.400 2.700 3.700 2.529 2.465 2.609 0.235 7 0 "[ . 1 . 2 . 3]" 1 3765 1 185 VAL HA 1 185 VAL QG 3.400 2.700 4.100 2.213 2.163 2.269 0.537 23 9 "[ . *** **. -2* + .* 3]" 1 3766 1 185 VAL HA 1 186 ALA H 3.900 3.100 4.700 3.252 2.220 3.496 0.880 4 3 "[ +. - 1 . 2 *. 3]" 1 3767 1 185 VAL HA 1 186 ALA MB 3.300 2.600 4.000 3.989 3.907 4.102 0.102 7 0 "[ . 1 . 2 . 3]" 1 3768 1 185 VAL HA 1 187 LEU HG 2.700 2.200 3.200 5.946 5.306 6.068 2.868 3 30 [**+********************-******] 1 3769 1 185 VAL HB 1 187 LEU H 3.800 3.000 4.600 5.171 4.466 5.524 0.924 17 19 "[*** ** * 1 *****+ *2* * -***]" 1 3770 1 185 VAL HB 1 187 LEU HA 4.700 3.800 5.600 5.103 4.911 5.316 . 0 0 "[ . 1 . 2 . 3]" 1 3771 1 185 VAL HB 1 187 LEU QB 3.800 3.000 4.600 4.270 3.759 4.561 . 0 0 "[ . 1 . 2 . 3]" 1 3772 1 185 VAL HB 1 187 LEU QD 4.000 3.200 4.800 2.532 1.921 2.921 1.279 24 17 "[ **** ***- .* * * **+*** 3]" 1 3773 1 185 VAL QG 1 186 ALA H 4.100 3.300 4.900 2.724 2.133 3.749 1.167 20 17 "[*-* ** *1 * ** * + * **** *]" 1 3774 1 185 VAL QG 1 186 ALA H 3.700 3.000 3.800 2.581 2.090 3.211 0.910 20 12 "[ ** *1 * .* * + * *** -]" 1 3775 1 185 VAL QG 1 187 LEU H 3.700 3.000 4.400 3.357 3.019 3.702 . 0 0 "[ . 1 . 2 . 3]" 1 3776 1 185 VAL QG 1 187 LEU QD 3.300 2.600 4.000 1.856 1.786 1.980 0.814 16 30 [***************+*******-******] 1 3777 1 185 VAL QG 1 188 LEU H 3.800 3.000 4.600 5.259 4.972 5.546 0.946 13 24 "[****.*** * *+**** *2** **-****]" 1 3778 1 186 ALA H 1 186 ALA HA 3.200 2.600 3.800 2.329 2.263 2.811 0.337 23 0 "[ . 1 . 2 . 3]" 1 3779 1 186 ALA H 1 186 ALA HA 3.400 2.700 4.100 2.049 2.013 2.198 0.687 30 30 [******-**********************+] 1 3780 1 186 ALA H 1 186 ALA MB 3.600 2.900 4.300 2.773 2.232 2.924 0.668 4 3 "[ +. - 1 . 2 *. 3]" 1 3781 1 186 ALA H 1 186 ALA MB 3.100 2.500 3.700 2.667 2.205 2.792 0.295 4 0 "[ . 1 . 2 . 3]" 1 3782 1 186 ALA H 1 187 LEU QB 3.900 3.100 4.700 4.148 3.837 5.082 0.382 4 0 "[ . 1 . 2 . 3]" 1 3783 1 186 ALA HA 1 187 LEU H 3.300 2.600 4.000 2.305 2.265 2.386 0.335 30 0 "[ . 1 . 2 . 3]" 1 3784 1 186 ALA HA 1 188 LEU H 3.300 2.600 4.000 3.890 3.537 3.969 . 0 0 "[ . 1 . 2 . 3]" 1 3785 1 186 ALA MB 1 187 LEU H 3.900 3.100 4.700 3.623 3.589 3.676 . 0 0 "[ . 1 . 2 . 3]" 1 3786 1 187 LEU H 1 187 LEU HA 3.200 2.600 3.800 2.910 2.862 2.917 . 0 0 "[ . 1 . 2 . 3]" 1 3787 1 187 LEU H 1 187 LEU HA 3.500 2.800 4.200 2.784 2.748 2.791 0.052 4 0 "[ . 1 . 2 . 3]" 1 3788 1 187 LEU H 1 187 LEU QB 3.300 2.700 4.000 2.180 2.142 2.315 0.558 3 25 "[**+*** **1************ *-***3]" 1 3789 1 187 LEU H 1 187 LEU QD 3.600 2.900 4.300 2.741 2.414 2.911 0.486 7 0 "[ . 1 . 2 . 3]" 1 3790 1 187 LEU H 1 187 LEU QD 3.700 3.000 4.400 2.757 2.434 2.960 0.566 24 3 "[ . * 1 . 2 -+. 3]" 1 3791 1 187 LEU H 1 187 LEU HG 2.900 2.300 3.500 1.980 1.810 2.421 0.490 7 0 "[ . 1 . 2 . 3]" 1 3792 1 187 LEU H 1 188 LEU QD 3.700 3.000 4.400 3.005 1.783 3.409 1.217 30 6 "[ . 1 *. * * *.- +]" 1 3793 1 187 LEU HA 1 187 LEU QD 3.100 2.600 3.700 2.135 2.043 2.307 0.557 11 15 "[*** . * 1+* ** * *2-* . ***]" 1 3794 1 187 LEU HA 1 188 LEU H 3.000 2.400 3.600 3.551 3.505 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 3795 1 187 LEU QB 1 187 LEU QD 2.600 2.100 3.100 1.717 1.712 1.724 0.388 16 0 "[ . 1 . 2 . 3]" 1 3796 1 188 LEU H 1 188 LEU QD 3.100 2.500 3.700 3.051 1.805 3.470 0.695 30 2 "[ . 1 . - . +]" 1 3797 1 188 LEU H 1 189 THR H 3.600 3.000 4.300 4.130 3.048 4.387 0.087 20 0 "[ . 1 . 2 . 3]" 1 3798 1 188 LEU HA 1 188 LEU QD 4.000 3.200 4.700 2.151 1.869 3.068 1.331 24 26 "[************* *** *2***+****-3]" 1 3799 1 188 LEU HA 1 189 THR H . 3.000 3.400 2.919 2.713 3.489 0.287 11 0 "[ . 1 . 2 . 3]" 1 3800 1 188 LEU QD 1 189 THR H 3.600 2.900 4.300 3.226 2.715 3.460 0.185 30 0 "[ . 1 . 2 . 3]" 1 3801 1 188 LEU HG 1 189 THR H 4.500 3.600 5.400 4.363 3.734 4.577 . 0 0 "[ . 1 . 2 . 3]" 1 3802 1 189 THR H 1 189 THR HB 3.700 3.000 4.400 2.860 2.464 3.647 0.536 11 1 "[ . 1+ . 2 . 3]" 1 3803 1 189 THR H 1 189 THR HB 4.100 3.300 4.900 2.801 2.439 3.516 0.861 11 16 "[* * * ***-+ * * * * **.* * 3]" 1 3804 1 189 THR H 1 189 THR MG 3.200 2.600 3.800 2.971 1.792 3.815 0.808 22 10 "[ * -.* 1 * .* 2*+ * * *]" 1 3805 1 189 THR H 1 189 THR MG 3.600 2.900 4.300 1.975 1.771 2.486 1.129 9 28 "[********+**** **-*********** *]" 1 3806 1 189 THR H 1 192 VAL H 3.300 2.600 4.000 2.680 2.464 2.775 0.136 15 0 "[ . 1 . 2 . 3]" 1 3807 1 189 THR H 1 193 ASP H 4.100 3.300 4.900 3.739 3.412 4.220 . 0 0 "[ . 1 . 2 . 3]" 1 3808 1 189 THR H 1 192 VAL H 4.000 3.200 4.800 4.057 3.821 4.377 . 0 0 "[ . 1 . 2 . 3]" 1 3809 1 189 THR H 1 192 VAL HB 3.200 2.600 3.800 2.820 2.428 3.255 0.172 20 0 "[ . 1 . 2 . 3]" 1 3810 1 189 THR H 1 192 VAL QG 3.500 2.800 4.200 3.119 2.788 3.558 0.012 23 0 "[ . 1 . 2 . 3]" 1 3811 1 189 THR HA 1 189 THR MG 3.800 3.000 4.600 2.746 2.301 3.196 0.699 10 16 "[* * * *-*+* * * * * **.* * 3]" 1 3812 1 189 THR HA 1 191 THR H 3.200 2.600 3.800 4.281 3.997 4.516 0.716 3 13 "[ *+*- * **.* **2 * .** 3]" 1 3813 1 189 THR HA 1 192 VAL H 3.800 3.000 4.600 4.685 4.503 4.854 0.254 14 0 "[ . 1 . 2 . 3]" 1 3814 1 189 THR HA 1 192 VAL QG 4.600 3.700 5.500 4.632 4.271 5.044 . 0 0 "[ . 1 . 2 . 3]" 1 3815 1 189 THR HB 1 191 THR H 3.300 2.600 4.000 4.085 3.272 4.709 0.709 16 10 "[ * *. 1 *.+* *2** - * 3]" 1 3816 1 189 THR MG 1 191 THR H 3.900 3.100 4.700 2.538 1.774 3.329 1.326 9 16 "[* * * **+-* * * * * **.* * 3]" 1 3817 1 189 THR MG 1 192 VAL H 4.100 3.300 4.900 2.476 1.862 3.293 1.438 17 17 "[-* *.* * 1** *.*+ *2** * * **]" 1 3818 1 189 THR MG 1 192 VAL HB 4.100 3.300 4.900 3.370 2.086 4.531 1.214 29 14 "[ * *.* 1 * *.** *2** - * +*]" 1 3819 1 189 THR MG 1 192 VAL QG 4.100 3.300 4.600 2.520 1.888 3.302 1.412 22 14 "[ * *.* 1 * *.** *2*+ * * -*]" 1 3820 1 191 THR H 1 191 THR HA 3.200 2.600 3.800 2.805 2.776 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 3821 1 191 THR H 1 191 THR HB . 3.000 3.400 3.222 2.566 3.636 0.434 22 0 "[ . 1 . 2 . 3]" 1 3822 1 191 THR H 1 191 THR MG 3.700 3.000 4.400 2.069 1.896 2.370 1.104 11 30 [-*********+*******************] 1 3823 1 191 THR H 1 192 VAL H 3.300 2.600 4.000 2.720 2.495 2.830 0.105 15 0 "[ . 1 . 2 . 3]" 1 3824 1 191 THR H 1 192 VAL QG 4.100 3.300 4.900 4.167 3.843 4.423 . 0 0 "[ . 1 . 2 . 3]" 1 3825 1 191 THR HA 1 192 VAL H 3.700 3.000 4.400 3.540 3.520 3.553 . 0 0 "[ . 1 . 2 . 3]" 1 3826 1 191 THR HA 1 194 VAL H 3.400 2.700 4.100 3.903 3.519 4.188 0.088 30 0 "[ . 1 . 2 . 3]" 1 3827 1 191 THR HA 1 195 ALA H 3.600 2.900 4.300 4.313 4.040 4.639 0.339 11 0 "[ . 1 . 2 . 3]" 1 3828 1 191 THR HB 1 192 VAL H . 3.100 3.700 3.769 3.525 4.064 0.364 3 0 "[ . 1 . 2 . 3]" 1 3829 1 192 VAL H 1 192 VAL HB 3.000 2.400 3.600 2.449 2.319 2.586 0.081 22 0 "[ . 1 . 2 . 3]" 1 3830 1 192 VAL H 1 192 VAL QG 3.500 2.800 3.700 2.219 1.952 2.470 0.848 11 16 "[* * * **-*+ * * * * **.* * 3]" 1 3831 1 192 VAL H 1 193 ASP H 3.400 2.700 4.100 2.671 2.513 2.838 0.187 29 0 "[ . 1 . 2 . 3]" 1 3832 1 192 VAL H 1 193 ASP H 3.400 2.700 4.100 2.643 2.497 2.801 0.203 29 0 "[ . 1 . 2 . 3]" 1 3833 1 192 VAL HA 1 196 LEU HG 3.800 3.000 4.600 4.642 4.150 5.046 0.446 27 0 "[ . 1 . 2 . 3]" 1 3834 1 192 VAL HB 1 193 ASP H 3.300 2.600 4.000 2.506 2.320 2.759 0.280 8 0 "[ . 1 . 2 . 3]" 1 3835 1 192 VAL QG 1 193 ASP H 3.600 2.900 4.300 3.030 2.749 3.233 0.151 22 0 "[ . 1 . 2 . 3]" 1 3836 1 192 VAL QG 1 194 VAL H 3.600 2.900 4.300 4.630 4.530 4.714 0.414 29 0 "[ . 1 . 2 . 3]" 1 3837 1 192 VAL QG 1 196 LEU H 3.900 3.100 4.700 4.063 3.826 4.248 . 0 0 "[ . 1 . 2 . 3]" 1 3838 1 194 VAL H 1 194 VAL HA 3.200 2.600 3.800 2.807 2.777 2.834 . 0 0 "[ . 1 . 2 . 3]" 1 3839 1 194 VAL H 1 194 VAL HB . 3.400 3.400 2.501 2.426 2.592 0.974 8 30 [*******+**************-*******] 1 3840 1 194 VAL H 1 194 VAL QG . 3.500 3.800 2.124 1.961 2.252 1.539 23 30 [*******-**************+*******] 1 3841 1 194 VAL H 1 195 ALA H 3.100 2.500 3.700 2.666 2.588 2.782 . 0 0 "[ . 1 . 2 . 3]" 1 3842 1 194 VAL H 1 195 ALA MB 3.900 3.100 4.700 4.330 4.271 4.406 . 0 0 "[ . 1 . 2 . 3]" 1 3843 1 194 VAL HA 1 197 ILE H 3.300 2.600 4.000 3.324 3.162 3.449 . 0 0 "[ . 1 . 2 . 3]" 1 3844 1 194 VAL HB 1 195 ALA H 2.800 2.200 3.400 2.758 2.623 2.813 . 0 0 "[ . 1 . 2 . 3]" 1 3845 1 194 VAL HB 1 196 LEU H 3.900 3.100 4.700 5.284 5.126 5.390 0.690 2 27 "[ +*****-******.****2**********]" 1 3846 1 194 VAL QG 1 195 ALA H 4.400 3.500 4.800 3.245 3.038 3.304 0.462 1 0 "[ . 1 . 2 . 3]" 1 3847 1 194 VAL QG 1 195 ALA MB 5.100 4.100 6.100 4.003 3.814 4.078 0.286 1 0 "[ . 1 . 2 . 3]" 1 3848 1 194 VAL QG 1 196 LEU H 5.000 4.000 6.000 4.678 4.509 4.752 . 0 0 "[ . 1 . 2 . 3]" 1 3849 1 194 VAL QG 1 197 ILE HB 4.800 3.800 5.500 3.186 2.970 3.362 0.830 30 24 "[** ******* ** ***-**** *. ***+]" 1 3850 1 194 VAL QG 1 197 ILE HB 5.300 4.200 6.400 3.028 2.884 3.139 1.316 28 30 [-**************************+**] 1 3851 1 194 VAL QG 1 198 VAL H 4.500 3.600 5.400 3.398 3.248 3.521 0.352 30 0 "[ . 1 . 2 . 3]" 1 3852 1 194 VAL QG 1 198 VAL QG 4.200 4.100 5.000 2.147 1.961 2.464 2.139 25 30 [********-***************+*****] 1 3853 1 195 ALA H 1 195 ALA MB 3.200 2.600 3.800 1.975 1.745 2.132 0.855 22 27 "[****.***** **-* *****+********]" 1 3854 1 195 ALA H 1 196 LEU H 3.400 2.700 4.100 2.804 2.717 2.891 . 0 0 "[ . 1 . 2 . 3]" 1 3855 1 195 ALA H 1 197 ILE H 3.900 3.100 4.700 4.110 3.975 4.197 . 0 0 "[ . 1 . 2 . 3]" 1 3856 1 195 ALA H 1 198 VAL H 4.000 3.200 4.800 4.876 4.803 5.075 0.275 9 0 "[ . 1 . 2 . 3]" 1 3857 1 195 ALA HA 1 196 LEU H 3.600 2.900 4.300 3.560 3.530 3.585 . 0 0 "[ . 1 . 2 . 3]" 1 3858 1 195 ALA HA 1 198 VAL H 3.500 2.800 4.200 3.895 3.678 4.060 . 0 0 "[ . 1 . 2 . 3]" 1 3859 1 195 ALA MB 1 196 LEU H 3.700 3.000 4.400 2.442 2.380 2.556 0.620 30 26 "[-***.*********.****2******* *+]" 1 3860 1 195 ALA MB 1 196 LEU H 3.100 2.500 3.700 2.430 2.369 2.538 0.131 30 0 "[ . 1 . 2 . 3]" 1 3861 1 196 LEU H 1 196 LEU QB 3.200 2.600 3.800 2.469 2.376 2.927 0.224 15 0 "[ . 1 . 2 . 3]" 1 3862 1 196 LEU H 1 196 LEU QB 2.900 2.300 3.500 2.088 1.757 2.287 0.543 22 1 "[ . 1 . 2 + . 3]" 1 3863 1 196 LEU H 1 196 LEU QD 3.700 3.000 4.000 3.013 2.137 3.156 0.863 22 2 "[ . 1 . 2 + . - 3]" 1 3864 1 196 LEU H 1 197 ILE H 3.400 2.700 4.100 2.599 2.539 2.660 0.161 22 0 "[ . 1 . 2 . 3]" 1 3865 1 196 LEU H 1 197 ILE H 3.400 2.700 4.100 2.583 2.524 2.643 0.176 22 0 "[ . 1 . 2 . 3]" 1 3866 1 196 LEU H 1 197 ILE HB 3.700 3.000 4.400 4.606 4.553 4.701 0.301 21 0 "[ . 1 . 2 . 3]" 1 3867 1 196 LEU H 1 198 VAL H 4.100 3.300 4.900 4.479 4.336 4.642 . 0 0 "[ . 1 . 2 . 3]" 1 3868 1 196 LEU H 1 198 VAL H 3.800 3.000 4.600 3.791 3.688 3.981 . 0 0 "[ . 1 . 2 . 3]" 1 3869 1 196 LEU HA 1 196 LEU QD 3.600 2.900 4.300 2.065 1.898 2.616 1.002 27 29 "[********************* ***-+***]" 1 3870 1 196 LEU HA 1 197 ILE H 3.300 2.600 4.000 3.526 3.502 3.545 . 0 0 "[ . 1 . 2 . 3]" 1 3871 1 196 LEU HA 1 199 TYR H 2.800 2.200 3.400 2.717 2.687 2.744 . 0 0 "[ . 1 . 2 . 3]" 1 3872 1 196 LEU HA 1 200 LEU H 3.300 2.600 4.000 3.337 3.317 3.360 . 0 0 "[ . 1 . 2 . 3]" 1 3873 1 196 LEU HA 1 200 LEU QD 4.500 3.600 5.400 4.502 3.529 4.658 0.071 30 0 "[ . 1 . 2 . 3]" 1 3874 1 196 LEU QB 1 196 LEU HG 3.300 2.600 4.000 2.371 2.158 2.420 0.442 27 0 "[ . 1 . 2 . 3]" 1 3875 1 196 LEU QB 1 197 ILE H 3.200 2.600 3.800 2.547 2.437 2.689 0.163 25 0 "[ . 1 . 2 . 3]" 1 3876 1 196 LEU QB 1 197 ILE H 3.400 2.700 4.100 2.571 2.450 2.861 0.250 25 0 "[ . 1 . 2 . 3]" 1 3877 1 196 LEU QB 1 197 ILE HB 3.400 3.100 4.100 4.633 4.543 4.928 0.828 22 18 "[ -****** * *** **+ *. ** *]" 1 3878 1 196 LEU QB 1 197 ILE QG 3.800 3.000 4.600 3.384 3.282 3.636 . 0 0 "[ . 1 . 2 . 3]" 1 3879 1 196 LEU QB 1 198 VAL H 4.100 3.300 4.900 4.988 4.894 5.131 0.231 22 0 "[ . 1 . 2 . 3]" 1 3880 1 196 LEU QD 1 197 ILE H 4.100 3.300 4.900 4.050 3.728 4.134 . 0 0 "[ . 1 . 2 . 3]" 1 3881 1 196 LEU QD 1 197 ILE H 3.600 2.900 4.300 3.629 3.386 3.728 . 0 0 "[ . 1 . 2 . 3]" 1 3882 1 196 LEU QD 1 199 TYR QB 4.300 3.400 5.200 3.066 2.755 3.389 0.645 15 5 "[- . **1 + 2 . *]" 1 3883 1 196 LEU QD 1 199 TYR QB 4.100 4.100 4.900 3.355 3.139 3.876 0.961 27 29 "[********************* **-*+***]" 1 3884 1 196 LEU QD 1 200 LEU QD 5.600 4.500 6.700 3.881 3.362 4.017 1.138 30 26 "[************ ** * *2*******-*+]" 1 3885 1 197 ILE H 1 197 ILE HA 3.200 2.600 3.800 2.794 2.776 2.823 . 0 0 "[ . 1 . 2 . 3]" 1 3886 1 197 ILE H 1 197 ILE HB 2.900 2.300 3.500 2.352 2.306 2.399 . 0 0 "[ . 1 . 2 . 3]" 1 3887 1 197 ILE H 1 197 ILE MD 4.100 3.300 4.900 3.579 3.479 3.665 . 0 0 "[ . 1 . 2 . 3]" 1 3888 1 197 ILE H 1 197 ILE MD 3.600 2.900 4.300 3.364 3.208 3.455 . 0 0 "[ . 1 . 2 . 3]" 1 3889 1 197 ILE H 1 197 ILE QG . 3.400 3.500 2.336 2.259 2.436 1.141 23 30 [********-*************+*******] 1 3890 1 197 ILE H 1 198 VAL H 3.400 2.700 4.000 2.864 2.695 2.974 0.005 13 0 "[ . 1 . 2 . 3]" 1 3891 1 197 ILE H 1 199 TYR H 4.100 3.400 4.900 3.801 3.737 3.913 . 0 0 "[ . 1 . 2 . 3]" 1 3892 1 197 ILE H 1 200 LEU QD 4.600 3.700 5.500 4.228 3.847 4.440 . 0 0 "[ . 1 . 2 . 3]" 1 3893 1 197 ILE HA 1 197 ILE MD 3.700 3.000 4.400 1.889 1.831 1.958 1.169 3 30 [**+*******-*******************] 1 3894 1 197 ILE HA 1 197 ILE QG 4.200 3.400 5.000 2.686 2.622 2.750 0.778 9 30 [********+***********-*********] 1 3895 1 197 ILE HA 1 198 VAL H 3.800 3.000 4.600 3.551 3.542 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 3896 1 197 ILE HA 1 199 TYR H 3.700 3.000 4.400 4.100 4.036 4.178 . 0 0 "[ . 1 . 2 . 3]" 1 3897 1 197 ILE HA 1 200 LEU H 3.200 2.600 3.800 2.653 2.610 2.682 . 0 0 "[ . 1 . 2 . 3]" 1 3898 1 197 ILE HA 1 200 LEU QD 3.700 3.000 4.400 1.844 1.763 2.303 1.237 6 30 [*****+***********************-] 1 3899 1 197 ILE HA 1 200 LEU QD 3.400 2.700 4.100 1.844 1.763 2.303 0.937 6 29 [*****+*********-*************3] 1 3900 1 197 ILE HA 1 201 ASP H 3.400 2.700 4.100 3.396 3.369 3.426 . 0 0 "[ . 1 . 2 . 3]" 1 3901 1 197 ILE HA 1 200 LEU QD 4.900 3.900 5.900 2.321 2.027 2.581 1.873 6 30 [*****+*****-******************] 1 3902 1 197 ILE HB 1 198 VAL H 4.500 3.600 5.400 2.328 2.269 2.458 1.331 27 30 [************-*************+***] 1 3903 1 197 ILE HB 1 198 VAL H 2.800 2.200 3.400 2.175 2.097 2.338 0.103 25 0 "[ . 1 . 2 . 3]" 1 3904 1 197 ILE MD 1 198 VAL H 5.100 4.100 6.100 4.568 4.527 4.639 . 0 0 "[ . 1 . 2 . 3]" 1 3905 1 197 ILE MD 1 200 LEU H 4.700 3.800 5.000 4.655 4.598 4.730 . 0 0 "[ . 1 . 2 . 3]" 1 3906 1 197 ILE MD 1 200 LEU QB 3.100 2.500 3.700 3.330 3.298 3.361 . 0 0 "[ . 1 . 2 . 3]" 1 3907 1 197 ILE MD 1 200 LEU QD 4.400 4.000 5.300 2.112 1.781 2.730 2.219 13 30 [************+****************-] 1 3908 1 197 ILE QG 1 200 LEU QD 5.500 4.400 6.600 3.679 3.434 3.899 0.966 6 30 [*****+*****-******************] 1 3909 1 198 VAL H 1 198 VAL QG 3.500 2.800 4.100 2.023 1.894 2.152 0.906 30 30 [************************-****+] 1 3910 1 198 VAL H 1 199 TYR H 3.500 2.800 4.000 2.659 2.576 2.702 0.224 13 0 "[ . 1 . 2 . 3]" 1 3911 1 198 VAL H 1 199 TYR QB 3.900 3.100 4.300 4.413 4.321 4.464 0.164 23 0 "[ . 1 . 2 . 3]" 1 3912 1 198 VAL HA 1 201 ASP H 3.200 2.600 3.800 2.737 2.697 2.750 . 0 0 "[ . 1 . 2 . 3]" 1 3913 1 198 VAL HA 1 202 LEU H 3.200 2.600 3.800 2.686 2.658 2.702 . 0 0 "[ . 1 . 2 . 3]" 1 3914 1 198 VAL HB 1 199 TYR H 3.600 2.900 3.700 2.890 2.707 3.558 0.193 22 0 "[ . 1 . 2 . 3]" 1 3915 1 198 VAL HB 1 199 TYR QB 4.100 3.700 4.900 4.224 4.040 4.881 . 0 0 "[ . 1 . 2 . 3]" 1 3916 1 198 VAL QG 1 199 TYR H 4.100 3.300 4.600 3.055 1.973 3.302 1.327 1 5 "[+ . *-1 * 2 . *]" 1 3917 1 198 VAL QG 1 199 TYR H 3.500 2.800 4.200 3.013 1.972 3.245 0.828 1 5 "[+ . *-1 * 2 . *]" 1 3918 1 198 VAL QG 1 199 TYR QB 4.500 3.600 5.400 3.866 2.957 4.122 0.643 15 5 "[* . *-1 + 2 . *]" 1 3919 1 198 VAL QG 1 201 ASP H 4.300 3.400 5.200 4.207 3.850 4.405 . 0 0 "[ . 1 . 2 . 3]" 1 3920 1 198 VAL QG 1 202 LEU H 3.700 3.000 4.400 3.339 2.669 3.597 0.331 21 0 "[ . 1 . 2 . 3]" 1 3921 1 199 TYR H 1 199 TYR HA 3.800 3.000 4.600 2.852 2.824 2.861 0.176 30 0 "[ . 1 . 2 . 3]" 1 3922 1 199 TYR H 1 199 TYR QB 3.500 2.800 3.500 2.227 2.155 2.256 0.645 22 30 [*********************+*******-] 1 3923 1 199 TYR H 1 199 TYR QD 4.100 3.300 4.800 4.162 4.039 4.199 . 0 0 "[ . 1 . 2 . 3]" 1 3924 1 199 TYR H 1 200 LEU H 3.400 2.800 4.100 2.517 2.476 2.721 0.324 11 0 "[ . 1 . 2 . 3]" 1 3925 1 199 TYR H 1 200 LEU QD 5.200 4.200 6.200 4.762 4.041 4.946 0.159 30 0 "[ . 1 . 2 . 3]" 1 3926 1 199 TYR H 1 201 ASP H 4.500 3.600 5.400 4.209 4.103 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 3927 1 199 TYR QB 1 200 LEU H 3.400 2.800 4.100 2.758 2.492 2.932 0.308 13 0 "[ . 1 . 2 . 3]" 1 3928 1 199 TYR QB 1 200 LEU QD 5.100 4.100 6.100 4.020 2.919 4.202 1.181 30 1 "[ . 1 . 2 . +]" 1 3929 1 199 TYR QB 1 200 LEU QD 4.400 3.500 5.300 4.020 2.919 4.202 0.581 30 1 "[ . 1 . 2 . +]" 1 3930 1 199 TYR QB 1 202 LEU QD 5.000 4.000 6.000 4.425 4.052 5.053 . 0 0 "[ . 1 . 2 . 3]" 1 3931 1 199 TYR QD 1 200 LEU H 4.200 3.400 5.000 3.661 3.242 3.973 0.158 30 0 "[ . 1 . 2 . 3]" 1 3932 1 199 TYR QD 1 200 LEU QD . 4.200 4.400 3.123 2.108 3.604 2.092 30 30 [**************-**************+] 1 3933 1 199 TYR QD 1 200 LEU HG 4.700 3.800 4.700 3.334 3.021 3.990 0.779 6 13 "[ **+* ** . *2 * ****- 3]" 1 3934 1 199 TYR QD 1 202 LEU QD 5.300 4.200 6.400 3.980 3.298 5.046 0.902 1 7 "[+ * . * 1* * * - 2 . 3]" 1 3935 1 199 TYR QD 1 203 VAL HB 4.100 3.300 4.900 4.333 3.738 4.934 0.034 8 0 "[ . 1 . 2 . 3]" 1 3936 1 199 TYR QD 1 203 VAL QG 3.600 2.900 4.300 3.724 3.077 4.091 . 0 0 "[ . 1 . 2 . 3]" 1 3937 1 199 TYR QE 1 200 LEU HA 4.400 3.500 5.300 4.682 4.379 5.037 . 0 0 "[ . 1 . 2 . 3]" 1 3938 1 199 TYR QE 1 200 LEU QD 5.900 4.700 7.100 3.701 3.294 4.081 1.406 22 30 [**************-******+********] 1 3939 1 199 TYR QE 1 200 LEU HG 4.100 3.300 4.900 5.050 4.482 5.267 0.367 21 0 "[ . 1 . 2 . 3]" 1 3940 1 199 TYR QE 1 203 VAL HB 4.600 3.700 5.500 3.997 3.503 4.852 0.197 20 0 "[ . 1 . 2 . 3]" 1 3941 1 199 TYR QE 1 203 VAL QG . 3.600 4.200 3.350 2.711 3.835 0.889 24 6 "[ * . * 1 - .* * 2 +. 3]" 1 3942 1 200 LEU H 1 200 LEU QB 3.400 2.700 4.100 2.259 2.117 2.316 0.583 30 1 "[ . 1 . 2 . +]" 1 3943 1 200 LEU H 1 200 LEU QD 3.900 3.300 4.700 3.230 2.290 3.318 1.010 30 1 "[ . 1 . 2 . +]" 1 3944 1 200 LEU H 1 200 LEU HG 3.800 3.000 3.800 2.684 2.445 3.773 0.555 13 1 "[ . 1 + . 2 . 3]" 1 3945 1 200 LEU H 1 201 ASP H 3.800 3.000 4.600 2.647 2.526 2.877 0.474 9 0 "[ . 1 . 2 . 3]" 1 3946 1 200 LEU H 1 201 ASP H 3.500 2.800 4.200 2.280 2.195 2.458 0.605 9 23 "[* -**** +*** ** * ***** *****3]" 1 3947 1 200 LEU HA 1 200 LEU QD 4.800 3.800 4.900 1.946 1.872 2.612 1.928 1 30 [+****************************-] 1 3948 1 200 LEU HA 1 200 LEU HG 3.500 3.100 4.200 2.896 2.251 3.001 0.849 30 1 "[ . 1 . 2 . +]" 1 3949 1 200 LEU HA 1 202 LEU H 4.600 3.700 5.500 4.374 4.213 4.676 . 0 0 "[ . 1 . 2 . 3]" 1 3950 1 200 LEU HA 1 203 VAL H . 3.600 4.100 3.555 3.380 3.785 0.220 10 0 "[ . 1 . 2 . 3]" 1 3951 1 200 LEU HA 1 203 VAL HB 4.400 3.500 5.300 3.733 2.877 4.225 0.623 18 2 "[ . - 1 . + 2 . 3]" 1 3952 1 200 LEU HA 1 203 VAL QG 3.500 2.800 4.200 2.075 1.830 2.687 0.970 10 24 "[* ***** *+** ** * ***** ***-**]" 1 3953 1 200 LEU HA 1 204 THR H 3.900 3.100 4.700 4.333 4.232 4.563 . 0 0 "[ . 1 . 2 . 3]" 1 3954 1 200 LEU QB 1 201 ASP H 3.400 2.700 4.100 2.586 2.316 2.722 0.384 13 0 "[ . 1 . 2 . 3]" 1 3955 1 200 LEU QD 1 201 ASP H 4.500 3.600 5.400 4.114 3.945 4.180 . 0 0 "[ . 1 . 2 . 3]" 1 3956 1 201 ASP H 1 201 ASP QB 3.600 2.900 4.200 2.538 2.400 2.624 0.500 19 1 "[ . 1 . +2 . 3]" 1 3957 1 201 ASP H 1 202 LEU H 3.600 2.900 4.300 2.491 2.411 2.676 0.489 9 0 "[ . 1 . 2 . 3]" 1 3958 1 201 ASP H 1 202 LEU QB 3.700 3.000 4.300 4.162 4.058 4.345 0.045 18 0 "[ . 1 . 2 . 3]" 1 3959 1 201 ASP HA 1 204 THR H 3.200 2.600 3.800 2.703 2.664 2.740 . 0 0 "[ . 1 . 2 . 3]" 1 3960 1 201 ASP HA 1 205 . H 3.300 2.600 4.000 3.192 3.116 3.236 . 0 0 "[ . 1 . 2 . 3]" 1 3961 1 201 ASP QB 1 202 LEU H 3.800 3.000 4.600 2.659 2.487 2.773 0.513 2 1 "[ + . 1 . 2 . 3]" 1 3962 1 201 ASP QB 1 202 LEU QD 4.900 3.900 5.900 3.035 2.330 3.688 1.570 8 29 [*******+****-***********.*****] 1 3963 1 201 ASP QB 1 203 VAL H 4.200 3.400 5.000 4.673 4.520 4.873 . 0 0 "[ . 1 . 2 . 3]" 1 3964 1 201 ASP QB 1 205 . H 3.700 3.000 4.400 4.392 4.263 4.765 0.365 25 0 "[ . 1 . 2 . 3]" 1 3965 1 202 LEU H 1 202 LEU QB . 3.400 3.800 2.068 2.021 2.228 1.379 30 30 [*************-***************+] 1 3966 1 202 LEU H 1 202 LEU QD 3.500 2.800 4.200 3.551 2.704 3.735 0.096 21 0 "[ . 1 . 2 . 3]" 1 3967 1 202 LEU H 1 202 LEU QD 3.600 2.900 4.300 3.276 2.651 3.479 0.249 21 0 "[ . 1 . 2 . 3]" 1 3968 1 202 LEU H 1 204 THR H 4.200 3.400 5.000 4.186 4.117 4.282 . 0 0 "[ . 1 . 2 . 3]" 1 3969 1 202 LEU HA 1 203 VAL HA 4.000 3.200 4.800 4.203 4.185 4.227 . 0 0 "[ . 1 . 2 . 3]" 1 3970 1 202 LEU HA 1 207 GLY H 3.300 2.600 4.000 3.319 3.244 3.380 . 0 0 "[ . 1 . 2 . 3]" 1 3971 1 202 LEU HA 1 206 VAL H 3.200 2.600 3.800 2.725 2.685 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 3972 1 202 LEU HA 1 206 VAL QG 3.700 3.000 4.400 2.075 2.033 2.329 0.967 17 30 [****************+*******-*****] 1 3973 1 202 LEU QB 1 203 VAL H 2.900 2.300 3.500 2.428 2.226 2.530 0.074 8 0 "[ . 1 . 2 . 3]" 1 3974 1 202 LEU QB 1 206 VAL H 3.700 3.000 4.400 4.838 4.678 5.222 0.822 13 6 "[*** . - 1 +*. 2 . 3]" 1 3975 1 202 LEU QD 1 203 VAL H 3.000 2.400 3.600 2.121 1.934 2.490 0.466 6 0 "[ . 1 . 2 . 3]" 1 3976 1 203 VAL H 1 203 VAL HA 3.200 2.600 3.800 2.870 2.834 2.888 . 0 0 "[ . 1 . 2 . 3]" 1 3977 1 203 VAL H 1 204 THR H 3.400 2.800 4.100 2.467 2.393 2.624 0.407 1 0 "[ . 1 . 2 . 3]" 1 3978 1 203 VAL H 1 205 . H 3.700 3.000 4.400 4.346 4.046 4.528 0.128 11 0 "[ . 1 . 2 . 3]" 1 3979 1 203 VAL HA 1 204 THR H 3.900 3.100 4.700 3.534 3.523 3.549 . 0 0 "[ . 1 . 2 . 3]" 1 3980 1 203 VAL HA 1 207 GLY H 4.000 3.200 4.800 2.935 2.722 3.215 0.478 13 0 "[ . 1 . 2 . 3]" 1 3981 1 203 VAL HA 1 207 GLY H 3.300 2.600 4.000 2.140 2.110 2.161 0.490 13 0 "[ . 1 . 2 . 3]" 1 3982 1 203 VAL HA 1 208 PHE H 3.700 3.000 4.400 2.548 2.509 2.587 0.491 5 0 "[ . 1 . 2 . 3]" 1 3983 1 203 VAL HB 1 204 THR H 3.200 2.600 3.800 3.769 2.838 4.058 0.258 21 0 "[ . 1 . 2 . 3]" 1 3984 1 203 VAL QG 1 204 THR H 4.700 3.900 5.600 2.330 2.058 3.241 1.842 23 30 [***************-******+*******] 1 3985 1 203 VAL QG 1 207 GLY H 3.800 3.000 4.600 3.043 2.061 3.127 0.939 25 1 "[ . 1 . 2 + 3]" 1 3986 1 204 THR H 1 204 THR HB 4.000 3.200 4.800 2.571 2.482 2.682 0.718 22 30 [*********************+*****-**] 1 3987 1 204 THR H 1 204 THR MG 4.400 3.500 4.400 3.784 3.774 3.798 . 0 0 "[ . 1 . 2 . 3]" 1 3988 1 204 THR H 1 205 . H 3.700 3.000 4.400 2.772 2.621 2.853 0.379 9 0 "[ . 1 . 2 . 3]" 1 3989 1 204 THR HA 1 204 THR MG 4.100 3.400 4.900 2.381 2.296 2.439 1.104 18 30 [*****************+***-********] 1 3990 1 204 THR HA 1 208 PHE H 3.400 2.700 4.100 3.485 3.216 3.786 . 0 0 "[ . 1 . 2 . 3]" 1 3991 1 204 THR HB 1 205 . H 4.000 3.200 4.800 2.323 2.187 2.643 1.013 18 30 [*****************+*******-****] 1 3992 1 204 THR MG 1 205 . H . 4.200 4.900 3.211 2.973 3.516 1.227 12 30 [***********+***************-**] 1 3993 1 204 THR MG 1 206 VAL H 4.600 3.700 5.500 5.270 5.100 5.495 . 0 0 "[ . 1 . 2 . 3]" 1 3994 1 205 . H 1 206 VAL H 3.500 2.800 4.200 2.821 2.615 2.993 0.185 26 0 "[ . 1 . 2 . 3]" 1 3995 1 205 . H 1 206 VAL QG 4.300 3.400 5.200 4.161 3.791 4.281 . 0 0 "[ . 1 . 2 . 3]" 1 3996 1 205 . H 1 207 GLY H 4.200 3.400 5.000 3.970 3.737 4.230 . 0 0 "[ . 1 . 2 . 3]" 1 3997 1 205 . H 1 208 PHE H 4.300 3.700 5.200 4.897 4.508 5.218 0.018 14 0 "[ . 1 . 2 . 3]" 1 3998 1 206 VAL H 1 206 VAL HB . 3.200 3.700 2.598 2.487 3.533 0.713 26 29 [********************-***.+****] 1 3999 1 206 VAL H 1 206 VAL QG 4.000 3.200 4.100 2.033 1.664 2.210 1.536 25 30 [************-***********+*****] 1 4000 1 206 VAL H 1 207 GLY H 3.600 2.900 4.300 2.592 2.533 2.750 0.367 24 0 "[ . 1 . 2 . 3]" 1 4001 1 206 VAL H 1 207 GLY QA 3.900 3.100 4.700 4.472 4.432 4.603 . 0 0 "[ . 1 . 2 . 3]" 1 4002 1 206 VAL H 1 208 PHE H 3.900 3.400 4.700 4.683 4.386 4.876 0.176 14 0 "[ . 1 . 2 . 3]" 1 4003 1 206 VAL H 1 209 GLY H 3.500 2.800 4.200 3.997 3.863 4.106 . 0 0 "[ . 1 . 2 . 3]" 1 4004 1 206 VAL HA 1 209 GLY H 3.800 3.000 4.600 3.789 3.623 3.958 . 0 0 "[ . 1 . 2 . 3]" 1 4005 1 206 VAL HA 1 210 PHE H 3.900 3.100 4.700 4.060 3.823 4.348 . 0 0 "[ . 1 . 2 . 3]" 1 4006 1 206 VAL HA 1 210 PHE QD 4.200 3.400 5.000 4.018 3.108 4.366 0.292 13 0 "[ . 1 . 2 . 3]" 1 4007 1 206 VAL HB 1 207 GLY H 4.300 3.400 4.300 2.774 2.441 4.077 0.959 13 29 [************+*-*********.*****] 1 4008 1 206 VAL HB 1 210 PHE QD 5.500 4.400 6.600 4.157 2.960 4.372 1.440 25 1 "[ . 1 . 2 + 3]" 1 4009 1 206 VAL HB 1 210 PHE QE 5.200 4.200 6.200 4.714 2.625 5.164 1.575 25 1 "[ . 1 . 2 + 3]" 1 4010 1 206 VAL QG 1 207 GLY H 4.000 3.400 4.800 3.248 2.070 3.332 1.330 25 1 "[ . 1 . 2 + 3]" 1 4011 1 206 VAL QG 1 208 PHE H 5.100 4.100 6.100 4.988 4.480 5.094 . 0 0 "[ . 1 . 2 . 3]" 1 4012 1 206 VAL QG 1 209 GLY H 4.500 3.600 5.000 4.582 4.434 4.736 . 0 0 "[ . 1 . 2 . 3]" 1 4013 1 206 VAL QG 1 210 PHE H 4.400 3.500 5.300 4.006 3.738 4.342 . 0 0 "[ . 1 . 2 . 3]" 1 4014 1 206 VAL QG 1 210 PHE H 4.200 3.400 5.000 3.782 3.625 4.039 . 0 0 "[ . 1 . 2 . 3]" 1 4015 1 206 VAL QG 1 210 PHE QE 4.000 3.200 4.800 2.228 2.053 2.878 1.147 17 29 [****************+**-****.*****] 1 4016 1 207 GLY H 1 208 PHE H 3.900 3.100 4.700 2.933 2.686 3.088 0.414 26 0 "[ . 1 . 2 . 3]" 1 4017 1 207 GLY H 1 208 PHE H 3.700 3.000 4.400 2.877 2.657 3.015 0.343 26 0 "[ . 1 . 2 . 3]" 1 4018 1 207 GLY H 1 210 PHE QD 4.100 3.300 4.900 3.379 3.075 3.639 0.225 13 0 "[ . 1 . 2 . 3]" 1 4019 1 207 GLY QA 1 208 PHE H 3.200 2.600 3.800 2.375 2.338 2.398 0.262 5 0 "[ . 1 . 2 . 3]" 1 4020 1 207 GLY QA 1 208 PHE H 4.900 3.900 5.900 2.480 2.363 2.546 1.537 17 30 [****************+**********-**] 1 4021 1 207 GLY QA 1 210 PHE H 3.500 2.800 4.200 3.357 3.221 3.536 . 0 0 "[ . 1 . 2 . 3]" 1 4022 1 207 GLY QA 1 211 ILE H 3.200 2.600 3.800 2.656 2.613 2.693 . 0 0 "[ . 1 . 2 . 3]" 1 4023 1 207 GLY QA 1 209 GLY H 3.200 2.600 3.800 3.740 3.565 3.906 0.106 17 0 "[ . 1 . 2 . 3]" 1 4024 1 207 GLY QA 1 210 PHE H 2.900 2.300 3.500 2.126 2.086 2.153 0.214 11 0 "[ . 1 . 2 . 3]" 1 4025 1 207 GLY QA 1 211 ILE H 3.600 2.900 4.300 2.555 2.508 2.648 0.392 19 0 "[ . 1 . 2 . 3]" 1 4026 1 207 GLY QA 1 210 PHE QD 4.400 3.500 5.300 3.453 2.810 4.159 0.690 17 3 "[ . -* 1 . + 2 . 3]" 1 4027 1 208 PHE H 1 208 PHE QB 3.600 2.900 4.300 2.363 2.070 2.712 0.830 11 21 "[** ** **+** * * 2********-*]" 1 4028 1 208 PHE H 1 208 PHE QD 4.000 3.200 4.800 2.716 1.845 4.165 1.355 24 14 "[ - *.*** 1 * .****2 **+. *]" 1 4029 1 208 PHE H 1 209 GLY H 3.900 3.100 4.400 2.631 2.473 2.832 0.627 29 15 "[*-* . * * ** * *** * * +*]" 1 4030 1 208 PHE H 1 211 ILE HB 4.500 3.600 5.400 5.412 4.791 6.029 0.629 17 1 "[ . 1 . + 2 . 3]" 1 4031 1 208 PHE HA 1 208 PHE QD 5.000 4.000 6.000 3.247 2.326 3.687 1.674 19 14 "[ *****-1 * .** +2 **.* * 3]" 1 4032 1 208 PHE HA 1 211 ILE MD 3.700 3.000 4.400 2.598 1.900 2.867 1.100 27 8 "[ -* * 1* . * **. + 3]" 1 4033 1 208 PHE HA 1 211 ILE MG 3.500 2.800 4.200 2.319 2.179 2.462 0.621 17 16 "[* *. ** * * -**+* 2** * **]" 1 4034 1 208 PHE HA 1 212 ALA H 3.500 2.800 4.200 3.221 3.173 3.276 . 0 0 "[ . 1 . 2 . 3]" 1 4035 1 208 PHE HA 1 211 ILE MD 4.400 3.500 5.300 2.687 1.900 3.631 1.600 27 28 "[***-*** ******** *********+***]" 1 4036 1 208 PHE QB 1 209 GLY H 3.800 3.000 4.400 3.024 2.318 3.617 0.682 17 13 "[ *-****1 * .*+ *2 **. * 3]" 1 4037 1 208 PHE QD 1 209 GLY H 3.800 3.000 4.600 3.341 1.874 4.177 1.126 18 7 "[ * . 1** . + - * . *]" 1 4038 1 208 PHE QD 1 212 ALA H 4.700 3.800 5.600 4.883 3.845 6.002 0.402 17 0 "[ . 1 . 2 . 3]" 1 4039 1 209 GLY H 1 210 PHE H 3.600 3.000 4.300 2.693 2.521 2.900 0.479 11 0 "[ . 1 . 2 . 3]" 1 4040 1 209 GLY H 1 211 ILE HB 4.300 3.400 5.200 5.324 4.799 5.945 0.745 17 2 "[ . - 1 . + 2 . 3]" 1 4041 1 210 PHE H 1 210 PHE HA 3.200 2.600 3.800 2.860 2.848 2.874 . 0 0 "[ . 1 . 2 . 3]" 1 4042 1 210 PHE H 1 210 PHE QB . 3.000 3.600 2.143 2.107 2.177 0.893 11 30 [*****-****+*******************] 1 4043 1 210 PHE H 1 210 PHE QD 4.000 3.200 4.800 3.457 3.120 3.709 0.080 13 0 "[ . 1 . 2 . 3]" 1 4044 1 210 PHE H 1 210 PHE QE 5.300 4.200 5.800 5.361 5.209 5.551 . 0 0 "[ . 1 . 2 . 3]" 1 4045 1 210 PHE H 1 211 ILE H 3.500 2.900 4.200 2.486 2.376 2.571 0.524 5 2 "[ + 1 . 2 . - 3]" 1 4046 1 210 PHE H 1 211 ILE HB 3.700 3.000 4.400 4.766 4.406 5.234 0.834 17 6 "[ *. ** 1 .*+ 2- . 3]" 1 4047 1 210 PHE H 1 211 ILE QG 4.300 3.500 5.200 3.916 3.512 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 4048 1 210 PHE H 1 212 ALA H 3.600 3.400 4.300 3.374 3.339 3.408 0.061 25 0 "[ . 1 . 2 . 3]" 1 4049 1 210 PHE H 1 213 LEU H 4.500 3.600 5.400 4.514 4.374 4.662 . 0 0 "[ . 1 . 2 . 3]" 1 4050 1 210 PHE H 1 213 LEU QB 4.500 3.600 5.400 5.320 5.017 5.645 0.245 3 0 "[ . 1 . 2 . 3]" 1 4051 1 210 PHE H 1 213 LEU QD 4.600 3.700 5.500 4.666 4.407 4.878 . 0 0 "[ . 1 . 2 . 3]" 1 4052 1 210 PHE HA 1 210 PHE QD 4.100 3.300 4.900 2.395 2.143 2.891 1.157 9 29 "[********+*** **************-**]" 1 4053 1 210 PHE HA 1 210 PHE QE 5.300 4.200 6.400 4.224 4.142 4.403 0.058 20 0 "[ . 1 . 2 . 3]" 1 4054 1 210 PHE HA 1 211 ILE H 4.100 3.300 4.900 3.528 3.475 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 4055 1 210 PHE HA 1 212 ALA H 4.000 3.200 4.800 3.864 3.814 3.903 . 0 0 "[ . 1 . 2 . 3]" 1 4056 1 210 PHE HA 1 212 ALA MB 4.300 3.400 5.200 4.302 4.189 4.399 . 0 0 "[ . 1 . 2 . 3]" 1 4057 1 210 PHE HA 1 213 LEU H 3.500 2.800 4.200 3.196 3.058 3.315 . 0 0 "[ . 1 . 2 . 3]" 1 4058 1 210 PHE HA 1 214 ASP H 3.200 2.600 3.800 2.742 2.709 2.772 . 0 0 "[ . 1 . 2 . 3]" 1 4059 1 210 PHE QB 1 211 ILE H . 3.500 4.300 2.582 2.529 2.710 0.971 22 30 [*********************+*****-**] 1 4060 1 210 PHE QB 1 211 ILE MD 5.000 4.000 6.000 4.297 2.671 4.611 1.329 17 2 "[ . - 1 . + 2 . 3]" 1 4061 1 210 PHE QB 1 213 LEU H 4.400 3.500 4.900 4.684 4.532 4.818 . 0 0 "[ . 1 . 2 . 3]" 1 4062 1 210 PHE QB 1 213 LEU QD 3.900 3.100 4.700 4.266 3.942 4.571 . 0 0 "[ . 1 . 2 . 3]" 1 4063 1 210 PHE QD 1 211 ILE H 5.000 4.000 5.400 4.518 4.483 4.590 . 0 0 "[ . 1 . 2 . 3]" 1 4064 1 210 PHE QD 1 213 LEU QB 4.700 3.800 5.600 3.550 3.377 3.831 0.423 21 0 "[ . 1 . 2 . 3]" 1 4065 1 210 PHE QD 1 213 LEU QD 4.200 3.400 5.000 2.933 2.537 3.284 0.863 21 13 "[*** . * 1 *.- ***+* * *]" 1 4066 1 210 PHE QE 1 213 LEU QB 5.000 4.000 6.000 4.934 4.807 5.034 . 0 0 "[ . 1 . 2 . 3]" 1 4067 1 211 ILE H 1 211 ILE MD 3.900 3.100 4.700 3.357 2.235 3.641 0.865 17 4 "[ .- * 1 . + 2 * . 3]" 1 4068 1 211 ILE H 1 211 ILE MD 3.600 2.900 4.300 3.100 2.216 3.293 0.684 17 2 "[ . - 1 . + 2 . 3]" 1 4069 1 211 ILE H 1 211 ILE QG . 3.400 4.000 2.001 1.696 2.412 1.704 17 30 [****************+**********-**] 1 4070 1 211 ILE H 1 211 ILE MG 3.900 3.100 4.700 3.745 3.643 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 4071 1 211 ILE H 1 212 ALA H 3.400 2.700 4.100 2.414 2.320 2.471 0.380 28 0 "[ . 1 . 2 . 3]" 1 4072 1 211 ILE H 1 213 LEU H 4.100 3.300 4.900 4.121 3.919 4.261 . 0 0 "[ . 1 . 2 . 3]" 1 4073 1 211 ILE HA 1 214 ASP QB 4.000 3.200 4.800 2.849 2.585 3.117 0.615 2 4 "[ + . - * 2 . * 3]" 1 4074 1 211 ILE HB 1 212 ALA H 4.300 3.400 5.200 2.889 2.812 3.030 0.588 13 20 "[ * ** ****+*. *** ******* -]" 1 4075 1 211 ILE MD 1 212 ALA H 4.300 3.400 5.200 4.588 3.942 4.796 . 0 0 "[ . 1 . 2 . 3]" 1 4076 1 211 ILE QG 1 212 ALA H 4.700 3.800 4.700 3.785 3.250 4.137 0.550 17 1 "[ . 1 . + 2 . 3]" 1 4077 1 211 ILE MG 1 212 ALA H 3.800 3.000 4.600 3.848 3.510 4.160 . 0 0 "[ . 1 . 2 . 3]" 1 4078 1 211 ILE MG 1 214 ASP QB 5.000 4.000 6.000 3.633 3.239 4.165 0.761 7 7 "[*** . + 1 * 2 - *3]" 1 4079 1 211 ILE MG 1 215 ALA H 4.700 3.800 5.600 3.765 3.476 4.152 0.324 3 0 "[ . 1 . 2 . 3]" 1 4080 1 211 ILE MG 1 215 ALA MB 4.300 3.400 5.200 2.789 2.557 2.990 0.843 20 23 "[* **.* ***** ** -**+***** * **]" 1 4081 1 212 ALA H 1 212 ALA MB 3.600 2.900 4.100 2.242 2.225 2.259 0.675 17 30 [************-***+*************] 1 4082 1 212 ALA H 1 213 LEU H 3.600 2.900 4.200 2.556 2.468 2.641 0.432 13 0 "[ . 1 . 2 . 3]" 1 4083 1 212 ALA HA 1 213 LEU H 3.200 2.600 3.800 2.725 2.713 2.730 . 0 0 "[ . 1 . 2 . 3]" 1 4084 1 212 ALA HA 1 216 ALA H 4.300 3.400 5.200 3.981 3.759 4.312 . 0 0 "[ . 1 . 2 . 3]" 1 4085 1 212 ALA MB 1 213 LEU H 3.900 3.100 4.700 2.532 2.417 2.660 0.683 15 27 "[********** * *+***-* *********]" 1 4086 1 212 ALA MB 1 213 LEU HA 3.800 3.000 4.600 3.814 3.779 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 4087 1 212 ALA MB 1 213 LEU QD 3.600 2.900 4.300 3.553 3.316 3.801 . 0 0 "[ . 1 . 2 . 3]" 1 4088 1 212 ALA MB 1 213 LEU HG 4.000 3.200 4.800 3.258 3.100 3.409 0.100 15 0 "[ . 1 . 2 . 3]" 1 4089 1 212 ALA MB 1 214 ASP H 5.000 4.000 6.000 4.732 4.513 4.863 . 0 0 "[ . 1 . 2 . 3]" 1 4090 1 212 ALA MB 1 216 ALA H 4.400 3.500 5.300 4.632 4.429 4.811 . 0 0 "[ . 1 . 2 . 3]" 1 4091 1 212 ALA MB 1 219 LEU QD 3.800 3.000 4.600 3.160 1.817 3.603 1.183 30 1 "[ . 1 . 2 . +]" 1 4092 1 213 LEU H 1 213 LEU QB 3.800 3.000 4.000 2.340 2.271 2.435 0.729 25 30 [*******************-****+*****] 1 4093 1 213 LEU H 1 213 LEU QB 3.100 2.500 3.700 2.141 2.097 2.168 0.403 3 0 "[ . 1 . 2 . 3]" 1 4094 1 213 LEU H 1 213 LEU QD 3.700 3.000 4.300 3.189 3.068 3.254 . 0 0 "[ . 1 . 2 . 3]" 1 4095 1 213 LEU H 1 213 LEU HG 3.400 2.700 4.100 2.492 2.298 2.619 0.402 3 0 "[ . 1 . 2 . 3]" 1 4096 1 213 LEU H 1 214 ASP H 3.500 3.000 4.200 2.702 2.569 2.772 0.431 7 0 "[ . 1 . 2 . 3]" 1 4097 1 213 LEU H 1 214 ASP QB 3.800 3.000 4.600 4.500 4.321 4.734 0.134 16 0 "[ . 1 . 2 . 3]" 1 4098 1 213 LEU H 1 215 ALA H 4.100 3.300 4.900 4.234 3.739 4.476 . 0 0 "[ . 1 . 2 . 3]" 1 4099 1 213 LEU H 1 216 ALA H 4.700 3.800 5.600 4.834 4.700 4.921 . 0 0 "[ . 1 . 2 . 3]" 1 4100 1 213 LEU H 1 216 ALA MB 4.400 3.500 5.300 4.779 4.553 5.236 . 0 0 "[ . 1 . 2 . 3]" 1 4101 1 213 LEU HA 1 213 LEU QD 3.000 2.400 3.600 1.984 1.932 2.075 0.468 22 0 "[ . 1 . 2 . 3]" 1 4102 1 213 LEU HA 1 216 ALA H 3.200 2.600 3.800 2.723 2.703 2.745 . 0 0 "[ . 1 . 2 . 3]" 1 4103 1 213 LEU QB 1 214 ASP H 3.500 2.800 4.200 2.351 2.265 2.632 0.535 20 6 "[ . ** . * + - . *]" 1 4104 1 213 LEU QB 1 214 ASP H 3.800 3.000 4.600 2.361 2.274 2.649 0.726 20 29 "[****** ************+******-***]" 1 4105 1 213 LEU QB 1 215 ALA H 4.300 3.400 5.200 4.694 4.269 4.989 . 0 0 "[ . 1 . 2 . 3]" 1 4106 1 213 LEU QB 1 216 ALA H 4.100 3.300 4.900 5.182 5.065 5.299 0.399 17 0 "[ . 1 . 2 . 3]" 1 4107 1 213 LEU QD 1 214 ASP H 4.100 3.300 4.900 3.979 3.919 4.150 . 0 0 "[ . 1 . 2 . 3]" 1 4108 1 214 ASP H 1 214 ASP HA 3.300 2.600 4.000 2.776 2.746 2.804 . 0 0 "[ . 1 . 2 . 3]" 1 4109 1 214 ASP H 1 214 ASP QB 3.000 2.400 3.600 2.343 2.248 2.512 0.152 15 0 "[ . 1 . 2 . 3]" 1 4110 1 214 ASP H 1 215 ALA H 3.500 2.900 4.200 2.852 2.627 2.990 0.273 16 0 "[ . 1 . 2 . 3]" 1 4111 1 214 ASP H 1 216 ALA H 4.000 3.200 4.800 4.529 4.246 4.695 . 0 0 "[ . 1 . 2 . 3]" 1 4112 1 214 ASP HA 1 214 ASP QB 3.200 2.600 3.800 2.364 2.320 2.402 0.280 2 0 "[ . 1 . 2 . 3]" 1 4113 1 214 ASP HA 1 215 ALA H 3.500 2.800 4.200 3.551 3.461 3.570 . 0 0 "[ . 1 . 2 . 3]" 1 4114 1 214 ASP HA 1 216 ALA H 4.200 3.400 5.000 4.932 4.819 5.097 0.097 11 0 "[ . 1 . 2 . 3]" 1 4115 1 214 ASP HA 1 217 ALA H 4.100 3.300 4.900 3.718 3.519 4.024 . 0 0 "[ . 1 . 2 . 3]" 1 4116 1 214 ASP QB 1 215 ALA H 3.300 2.600 4.000 2.420 2.265 2.878 0.335 15 0 "[ . 1 . 2 . 3]" 1 4117 1 214 ASP QB 1 215 ALA MB 4.400 3.500 5.300 3.751 3.600 3.997 . 0 0 "[ . 1 . 2 . 3]" 1 4118 1 214 ASP QB 1 216 ALA H 4.100 3.300 4.900 4.904 4.712 5.273 0.373 13 0 "[ . 1 . 2 . 3]" 1 4119 1 215 ALA H 1 215 ALA HA 3.200 2.600 3.800 2.803 2.782 2.844 . 0 0 "[ . 1 . 2 . 3]" 1 4120 1 215 ALA H 1 216 ALA H 3.300 2.600 4.000 2.792 2.701 2.862 . 0 0 "[ . 1 . 2 . 3]" 1 4121 1 215 ALA H 1 216 ALA H 3.300 2.600 4.000 2.810 2.723 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 4122 1 215 ALA H 1 217 ALA H 3.400 2.700 4.100 2.592 2.534 2.678 0.166 25 0 "[ . 1 . 2 . 3]" 1 4123 1 215 ALA HA 1 216 ALA H 3.500 2.800 4.200 3.572 3.561 3.580 . 0 0 "[ . 1 . 2 . 3]" 1 4124 1 215 ALA HA 1 216 ALA H 3.700 3.000 4.400 3.400 3.365 3.455 . 0 0 "[ . 1 . 2 . 3]" 1 4125 1 215 ALA HA 1 218 THR H 3.100 2.500 3.700 2.430 2.092 2.502 0.408 30 0 "[ . 1 . 2 . 3]" 1 4126 1 215 ALA HA 1 219 LEU H 3.400 2.700 4.100 2.676 2.446 3.173 0.254 6 0 "[ . 1 . 2 . 3]" 1 4127 1 215 ALA HA 1 219 LEU QD 4.200 3.400 5.000 3.294 2.823 3.602 0.577 30 1 "[ . 1 . 2 . +]" 1 4128 1 215 ALA HA 1 219 LEU QD 5.100 4.100 6.100 4.216 3.644 4.425 0.456 30 0 "[ . 1 . 2 . 3]" 1 4129 1 215 ALA MB 1 216 ALA H 3.200 2.600 3.800 1.993 1.965 2.026 0.635 11 30 [******-***+*******************] 1 4130 1 215 ALA MB 1 219 LEU H 3.700 3.000 4.400 2.521 2.388 2.620 0.612 30 11 "[ - * **1 * * * *2* . *+]" 1 4131 1 215 ALA MB 1 218 THR H 3.800 3.000 4.600 2.555 2.439 2.699 0.561 29 5 "[ . 1* - . 2 *. +*]" 1 4132 1 215 ALA MB 1 218 THR HB 3.600 2.900 4.300 4.051 3.832 4.186 . 0 0 "[ . 1 . 2 . 3]" 1 4133 1 216 ALA H 1 216 ALA HA 3.200 2.600 3.800 2.683 2.665 2.706 . 0 0 "[ . 1 . 2 . 3]" 1 4134 1 216 ALA H 1 216 ALA MB 2.800 2.200 3.400 2.126 2.065 2.148 0.135 15 0 "[ . 1 . 2 . 3]" 1 4135 1 216 ALA H 1 218 THR H 3.600 2.900 4.300 2.603 2.536 2.690 0.364 25 0 "[ . 1 . 2 . 3]" 1 4136 1 216 ALA H 1 219 LEU H 4.400 3.500 5.300 3.851 3.660 4.025 . 0 0 "[ . 1 . 2 . 3]" 1 4137 1 216 ALA H 1 219 LEU QD 4.200 3.800 5.000 3.809 3.550 4.065 0.250 12 0 "[ . 1 . 2 . 3]" 1 4138 1 216 ALA HA 1 217 ALA HA 3.700 3.000 4.400 4.419 4.294 4.516 0.116 26 0 "[ . 1 . 2 . 3]" 1 4139 1 216 ALA HA 1 218 THR H 4.500 3.600 5.400 4.232 4.049 4.444 . 0 0 "[ . 1 . 2 . 3]" 1 4140 1 216 ALA HA 1 219 LEU H 4.000 3.200 4.800 3.252 3.065 3.433 0.135 21 0 "[ . 1 . 2 . 3]" 1 4141 1 216 ALA HA 1 219 LEU QD 3.800 3.000 4.200 2.125 1.825 2.868 1.175 12 27 "[***********+***** ******.-***3]" 1 4142 1 216 ALA HA 1 219 LEU HG 3.100 2.500 3.700 2.533 1.774 2.913 0.726 30 1 "[ . 1 . 2 . +]" 1 4143 1 216 ALA HA 1 220 ARG H 4.800 3.800 5.800 4.259 4.026 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 4144 1 216 ALA MB 1 217 ALA H 3.300 2.600 4.000 2.131 2.074 2.149 0.526 28 3 "[ . 1- * 2 . + 3]" 1 4145 1 216 ALA MB 1 220 ARG H 4.100 3.300 4.900 2.549 2.297 2.821 1.003 30 29 "[******-****************** ***+]" 1 4146 1 217 ALA H 1 217 ALA HA 3.100 2.600 3.700 2.811 2.779 2.831 . 0 0 "[ . 1 . 2 . 3]" 1 4147 1 217 ALA H 1 217 ALA MB 2.800 2.200 3.400 2.237 2.214 2.244 . 0 0 "[ . 1 . 2 . 3]" 1 4148 1 217 ALA H 1 219 LEU QD 5.700 4.600 6.800 4.835 4.430 5.130 0.170 30 0 "[ . 1 . 2 . 3]" 1 4149 1 217 ALA H 1 220 ARG QD 5.000 4.000 6.000 5.529 4.842 6.035 0.035 26 0 "[ . 1 . 2 . 3]" 1 4150 1 217 ALA HA 1 218 THR H 3.200 2.600 3.800 2.728 2.706 2.755 . 0 0 "[ . 1 . 2 . 3]" 1 4151 1 217 ALA HA 1 219 LEU H 3.200 2.600 3.800 2.678 2.657 2.706 . 0 0 "[ . 1 . 2 . 3]" 1 4152 1 217 ALA HA 1 220 ARG H 3.200 2.600 3.800 2.654 2.606 2.682 . 0 0 "[ . 1 . 2 . 3]" 1 4153 1 217 ALA HA 1 221 ALA H 3.300 2.600 4.000 2.840 2.766 2.936 . 0 0 "[ . 1 . 2 . 3]" 1 4154 1 217 ALA MB 1 220 ARG QD 4.000 3.200 4.800 4.665 3.311 5.917 1.117 15 4 "[ . * 1 - + 2 * . 3]" 1 4155 1 218 THR H 1 218 THR HA 3.200 2.600 3.800 2.801 2.765 2.835 . 0 0 "[ . 1 . 2 . 3]" 1 4156 1 218 THR H 1 218 THR HB 3.000 2.400 3.600 2.475 2.108 2.541 0.292 30 0 "[ . 1 . 2 . 3]" 1 4157 1 218 THR H 1 218 THR MG 3.400 3.400 4.100 3.751 3.425 3.775 . 0 0 "[ . 1 . 2 . 3]" 1 4158 1 218 THR H 1 219 LEU QB 4.400 3.500 5.300 4.676 4.500 4.860 . 0 0 "[ . 1 . 2 . 3]" 1 4159 1 218 THR H 1 219 LEU QD 5.100 4.100 6.100 4.391 3.340 4.588 0.760 30 1 "[ . 1 . 2 . +]" 1 4160 1 218 THR HA 1 218 THR HB 3.100 2.500 3.700 3.022 2.914 3.028 . 0 0 "[ . 1 . 2 . 3]" 1 4161 1 218 THR HA 1 218 THR MG 3.400 2.700 4.100 2.429 2.387 2.873 0.313 21 0 "[ . 1 . 2 . 3]" 1 4162 1 218 THR HA 1 218 THR MG 2.900 2.300 3.500 1.989 1.982 2.039 0.318 21 0 "[ . 1 . 2 . 3]" 1 4163 1 218 THR HA 1 219 LEU QD 3.400 2.700 3.600 2.088 1.976 2.216 0.724 30 29 "[*****************-******* ***+]" 1 4164 1 218 THR HA 1 221 ALA MB 3.100 2.500 3.700 2.197 1.814 2.757 0.686 11 7 "[ . *1+** . 2 - . * *3]" 1 4165 1 218 THR HA 1 219 LEU QD 5.000 4.000 6.000 4.981 4.182 5.264 . 0 0 "[ . 1 . 2 . 3]" 1 4166 1 218 THR HB 1 218 THR MG 2.900 2.300 3.500 2.133 2.131 2.137 0.169 20 0 "[ . 1 . 2 . 3]" 1 4167 1 218 THR HB 1 219 LEU QD 4.400 3.500 5.300 3.446 2.940 3.873 0.560 30 1 "[ . 1 . 2 . +]" 1 4168 1 218 THR HB 1 219 LEU HG 3.900 3.100 4.700 3.603 3.251 5.156 0.456 30 0 "[ . 1 . 2 . 3]" 1 4169 1 218 THR MG 1 219 LEU H 4.500 3.600 5.400 3.448 2.826 3.617 0.774 30 1 "[ . 1 . 2 . +]" 1 4170 1 219 LEU H 1 219 LEU QB 3.400 2.700 4.100 2.545 2.406 2.648 0.294 30 0 "[ . 1 . 2 . 3]" 1 4171 1 219 LEU H 1 219 LEU QB 3.300 2.600 3.800 2.284 2.101 2.440 0.499 30 0 "[ . 1 . 2 . 3]" 1 4172 1 219 LEU H 1 219 LEU QD 3.900 3.100 4.700 2.833 1.976 3.027 1.124 30 1 "[ . 1 . 2 . +]" 1 4173 1 219 LEU H 1 219 LEU QD 3.600 2.900 4.200 2.778 1.971 2.945 0.929 30 1 "[ . 1 . 2 . +]" 1 4174 1 219 LEU H 1 219 LEU HG 3.300 2.600 4.000 2.112 1.908 3.027 0.692 6 15 "[ * *.+* *- *.* * * ***.* * 3]" 1 4175 1 219 LEU H 1 221 ALA H 3.400 2.700 4.100 2.333 2.277 2.448 0.423 24 0 "[ . 1 . 2 . 3]" 1 4176 1 219 LEU H 1 221 ALA H 4.800 3.800 5.800 3.835 3.631 4.171 0.169 30 0 "[ . 1 . 2 . 3]" 1 4177 1 219 LEU HA 1 219 LEU QB 3.100 2.500 3.700 2.316 2.272 2.357 0.228 26 0 "[ . 1 . 2 . 3]" 1 4178 1 219 LEU HA 1 219 LEU QB 3.300 2.600 4.000 2.329 2.283 2.371 0.317 26 0 "[ . 1 . 2 . 3]" 1 4179 1 219 LEU HA 1 219 LEU QD 3.300 2.600 4.000 2.090 1.980 2.220 0.620 30 19 "[ * * **1***** * ***** - * *+]" 1 4180 1 219 LEU HA 1 222 GLU H 3.800 3.000 4.600 3.477 3.352 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 4181 1 219 LEU QB 1 219 LEU QD 3.400 2.700 4.100 1.953 1.937 2.000 0.763 12 30 [***********+*****************-] 1 4182 1 219 LEU QB 1 220 ARG H 3.600 2.900 4.300 2.593 2.317 2.901 0.583 30 2 "[ . 1 . 2 . -+]" 1 4183 1 219 LEU QB 1 222 GLU H 3.400 2.700 4.100 2.816 2.412 2.994 0.288 20 0 "[ . 1 . 2 . 3]" 1 4184 1 219 LEU QD 1 220 ARG H 4.800 3.800 5.800 4.039 3.858 4.119 . 0 0 "[ . 1 . 2 . 3]" 1 4185 1 219 LEU HG 1 220 ARG H 3.800 3.000 4.600 4.169 4.038 4.409 . 0 0 "[ . 1 . 2 . 3]" 1 4186 1 220 ARG H 1 220 ARG HA 2.900 2.300 3.500 2.889 2.850 2.897 . 0 0 "[ . 1 . 2 . 3]" 1 4187 1 220 ARG H 1 220 ARG QD 4.300 3.400 5.200 3.768 2.194 4.764 1.206 17 6 "[ . 1* * - + * * . 3]" 1 4188 1 220 ARG H 1 223 HIS H 4.400 3.500 5.300 4.995 4.491 5.601 0.301 1 0 "[ . 1 . 2 . 3]" 1 4189 1 220 ARG HA 1 221 ALA H 3.400 2.700 4.100 3.442 3.356 3.518 . 0 0 "[ . 1 . 2 . 3]" 1 4190 1 220 ARG QD 1 221 ALA H 4.600 3.700 5.500 4.637 2.644 5.515 1.056 30 2 "[ . 1 . -2 . +]" 1 4191 1 221 ALA H 1 221 ALA HA 2.900 2.600 3.500 2.857 2.798 2.890 . 0 0 "[ . 1 . 2 . 3]" 1 4192 1 221 ALA H 1 221 ALA MB 2.700 2.700 3.200 2.252 2.227 2.276 0.473 14 0 "[ . 1 . 2 . 3]" 1 4193 1 221 ALA H 1 222 GLU H 3.400 2.700 4.000 2.518 2.371 2.725 0.329 4 0 "[ . 1 . 2 . 3]" 1 4194 1 221 ALA HA 1 221 ALA MB 2.700 2.200 3.200 2.126 2.124 2.129 0.076 1 0 "[ . 1 . 2 . 3]" 1 4195 1 221 ALA HA 1 221 ALA MB 2.500 . 3.000 2.117 2.115 2.120 . 0 0 "[ . 1 . 2 . 3]" 1 4196 1 221 ALA HA 1 222 GLU H 3.300 2.600 4.000 3.478 3.431 3.552 . 0 0 "[ . 1 . 2 . 3]" 1 4197 1 221 ALA HA 1 222 GLU H 3.200 2.600 3.800 2.756 2.713 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 4198 1 221 ALA MB 1 222 GLU H 3.300 2.600 4.000 2.832 2.415 3.017 0.185 20 0 "[ . 1 . 2 . 3]" 1 4199 1 221 ALA MB 1 222 GLU QB 3.900 3.100 4.700 3.926 3.639 4.198 . 0 0 "[ . 1 . 2 . 3]" 1 4200 1 222 GLU H 1 222 GLU HA 2.900 2.300 3.500 2.890 2.839 2.920 . 0 0 "[ . 1 . 2 . 3]" 1 4201 1 222 GLU H 1 222 GLU QB 2.700 2.200 3.200 2.612 2.395 2.777 . 0 0 "[ . 1 . 2 . 3]" 1 4202 1 222 GLU H 1 222 GLU QG 3.500 3.000 4.200 2.091 1.916 2.350 1.084 29 30 [-***************************+*] 1 4203 1 222 GLU H 1 223 HIS H 4.100 3.300 4.100 2.333 2.137 2.562 1.163 3 30 [**+***********************-***] 1 4204 1 222 GLU H 1 223 HIS QB 5.200 4.200 5.500 4.739 4.191 5.064 0.009 30 0 "[ . 1 . 2 . 3]" 1 4205 1 222 GLU HA 1 222 GLU QG 3.000 2.400 3.200 3.341 3.324 3.456 0.256 8 0 "[ . 1 . 2 . 3]" 1 4206 1 222 GLU HA 1 223 HIS H 3.200 2.600 3.800 3.413 3.283 3.523 . 0 0 "[ . 1 . 2 . 3]" 1 4207 1 222 GLU HA 1 223 HIS HA 3.600 2.900 4.300 4.960 4.458 5.335 1.035 18 16 "[ ***.* * ****+ ** * * * -]" 1 4208 1 222 GLU QB 1 223 HIS H 3.300 2.600 4.000 3.641 3.408 3.821 . 0 0 "[ . 1 . 2 . 3]" 1 4209 1 222 GLU QB 1 223 HIS HA 3.600 2.900 4.300 4.877 4.444 5.271 0.971 21 16 "[-***.* * ***** *+ * * * 3]" 1 4210 1 222 GLU QG 1 223 HIS H 3.800 3.000 4.600 2.546 2.074 2.981 0.926 18 13 "[ **** * *. *+ * - * **3]" 1 4211 1 222 GLU QG 1 223 HIS HA 4.100 3.400 4.900 3.667 3.113 4.081 0.287 5 0 "[ . 1 . 2 . 3]" 1 4212 1 222 GLU QG 1 223 HIS QB 3.600 2.900 4.300 3.973 2.639 4.503 0.261 11 0 "[ . 1 . 2 . 3]" 1 4213 1 223 HIS H 1 223 HIS QB . 3.500 4.000 2.926 2.256 3.389 1.244 30 13 "[ * ***1 * *. **- * .** +]" 1 4214 1 223 HIS HA 1 223 HIS QB 2.700 2.200 3.000 2.317 2.171 2.518 0.029 1 0 "[ . 1 . 2 . 3]" 1 4215 1 223 HIS HA 1 223 HIS HD2 3.600 3.200 4.300 4.276 2.596 4.685 0.604 28 1 "[ . 1 . 2 . + 3]" 1 4216 1 223 HIS HA 1 224 GLY H 3.900 3.100 4.700 2.856 2.140 3.575 0.960 10 10 "[ **. + . - * * * ***]" 1 4217 1 223 HIS HA 1 224 GLY QA 3.700 3.000 4.400 4.114 3.885 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 4218 1 223 HIS QB 1 223 HIS HD2 3.400 2.800 4.000 2.793 2.627 3.158 0.173 26 0 "[ . 1 . 2 . 3]" 1 4219 1 223 HIS QB 1 224 GLY H 4.900 3.900 5.800 2.770 1.790 4.051 2.110 12 20 "[ **** ***1*+ ** * *2*- *.* ***]" 1 4220 1 224 GLY H 1 224 GLY QA 3.200 2.600 3.800 2.329 2.194 2.503 0.406 9 0 "[ . 1 . 2 . 3]" 1 4221 1 224 GLY H 1 225 GLU QB 5.400 4.300 6.500 4.508 3.379 5.644 0.921 17 3 "[ . 1 * - + 2 . 3]" 1 4222 1 224 GLY QA 1 225 GLU H 3.700 3.000 4.400 2.607 2.105 2.919 0.895 2 9 "[*+- * * *. **2 * . 3]" 1 4223 1 225 GLU H 1 225 GLU HA 3.200 2.600 3.800 2.812 2.268 2.947 0.332 1 0 "[ . 1 . 2 . 3]" 1 4224 1 225 GLU H 1 225 GLU QB 3.200 2.600 3.400 2.604 2.240 3.348 0.360 10 0 "[ . 1 . 2 . 3]" 1 4225 1 225 GLU H 1 225 GLU QB 3.600 2.900 4.300 2.464 2.220 3.082 0.680 10 11 "[ * . * + * .** ** -. * *]" 1 4226 1 225 GLU H 1 225 GLU QG 3.300 2.600 4.000 3.292 1.981 4.495 0.619 21 2 "[ . 1 - . 2+ . 3]" 1 4227 1 225 GLU HA 1 225 GLU QB 2.900 2.400 3.500 2.345 2.179 2.408 0.221 23 0 "[ . 1 . 2 . 3]" 1 4228 1 225 GLU HA 1 226 SER H 2.200 . 2.600 2.196 2.138 2.324 . 0 0 "[ . 1 . 2 . 3]" 1 4229 1 225 GLU QB 1 225 GLU QG 2.300 . 2.800 2.042 1.992 2.087 . 0 0 "[ . 1 . 2 . 3]" 1 4230 1 225 GLU QB 1 226 SER H 2.800 2.400 3.400 3.375 2.543 3.982 0.582 14 3 "[ . 1 - +. 2 . *3]" 1 4231 1 225 GLU QG 1 226 SER H 3.200 2.600 3.800 3.561 2.265 4.763 0.963 8 6 "[*- . + 1 * 2 *.* 3]" 1 4232 1 226 SER H 1 226 SER QB 2.400 . 2.900 2.756 2.266 3.329 0.429 13 0 "[ . 1 . 2 . 3]" 1 4233 1 226 SER QB 1 227 LEU H 2.500 . 3.000 2.680 1.822 3.523 0.523 13 3 "[ -. 1 + . *2 . 3]" 1 4234 1 227 LEU H 1 227 LEU HA 3.600 2.900 4.300 2.885 2.773 2.945 0.127 16 0 "[ . 1 . 2 . 3]" 1 4235 1 227 LEU H 1 227 LEU QD 3.700 3.000 4.400 3.042 1.971 3.946 1.029 4 9 "[ -+. ** 1 ***. 2 * . * 3]" 1 4236 1 227 LEU HA 1 227 LEU QB 2.400 . 2.900 2.270 2.150 2.410 . 0 0 "[ . 1 . 2 . 3]" 1 4237 1 227 LEU HA 1 227 LEU QB 2.800 2.200 3.400 2.351 2.161 2.446 0.039 4 0 "[ . 1 . 2 . 3]" 1 4238 1 227 LEU HA 1 227 LEU QD 3.000 2.400 3.600 2.269 1.901 3.413 0.499 22 0 "[ . 1 . 2 . 3]" 1 4239 1 227 LEU HA 1 227 LEU QD 3.600 2.900 4.300 2.241 1.900 3.247 1.000 22 23 "[*** ** **- ** *****+**** ***]" 1 4240 1 227 LEU HA 1 227 LEU HG 3.000 2.400 3.600 3.105 2.385 3.714 0.114 8 0 "[ . 1 . 2 . 3]" 1 4241 1 227 LEU HA 1 228 ALA H 3.300 2.600 4.000 2.591 2.136 3.569 0.464 20 0 "[ . 1 . 2 . 3]" 1 4242 1 227 LEU HA 1 228 ALA H 2.100 . 2.500 2.169 1.996 2.283 . 0 0 "[ . 1 . 2 . 3]" 1 4243 1 227 LEU QB 1 228 ALA H 2.600 2.100 3.100 3.060 2.169 3.955 0.855 30 7 "[ .* ** . - 2 .* * +]" 1 4244 1 227 LEU QD 1 228 ALA H 3.600 2.900 4.300 3.389 2.058 4.317 0.842 26 3 "[ * 1- . 2 .+ 3]" 1 4245 1 227 LEU QD 1 228 ALA H 4.200 3.400 5.000 3.133 2.042 3.772 1.358 5 10 "[ +* **** . * 2 .* * -]" 1 4246 1 228 ALA H 1 228 ALA HA 3.300 2.600 4.000 2.447 1.963 2.807 0.637 22 4 "[ . 1 .-* 2 + . * 3]" 1 4247 1 228 ALA H 1 228 ALA MB 2.500 . 3.000 2.578 2.267 2.802 . 0 0 "[ . 1 . 2 . 3]" 1 4248 1 228 ALA H 1 228 ALA MB 3.400 2.700 4.100 2.251 1.851 2.699 0.849 30 13 "[ * .* * *** . *2* * .*- *+]" 1 4249 1 228 ALA HA 1 229 GLY H 3.500 2.800 4.200 2.663 2.138 3.552 0.662 19 10 "[ * * 1* .** +2 * - **3]" 1 4250 1 228 ALA MB 1 229 GLY H 5.000 4.000 6.000 2.891 1.912 3.639 2.088 21 23 "[**-**** **** *** ***+***.* * 3]" 1 4251 1 229 GLY H 1 229 GLY QA 3.300 2.600 3.800 2.358 2.196 2.501 0.404 12 0 "[ . 1 . 2 . 3]" 1 4252 1 229 GLY H 1 230 VAL H . 3.700 4.000 3.616 2.168 4.624 1.532 13 15 "[* * . *1**+ * ** *** *.*- 3]" 1 4253 1 229 GLY QA 1 230 VAL H . 2.400 2.900 2.298 2.106 2.841 0.294 4 0 "[ . 1 . 2 . 3]" 1 4254 1 229 GLY QA 1 230 VAL HB 3.200 2.600 3.800 4.816 4.110 5.617 1.817 11 28 "[***-* ***+*******************]" 1 4255 1 230 VAL H 1 230 VAL HA 3.500 2.800 3.800 2.910 2.826 2.946 . 0 0 "[ . 1 . 2 . 3]" 1 4256 1 230 VAL H 1 230 VAL HB 2.900 2.300 3.500 3.041 2.547 3.823 0.323 18 0 "[ . 1 . 2 . 3]" 1 4257 1 230 VAL H 1 230 VAL QG 3.400 2.700 4.100 2.160 1.887 2.719 0.813 29 20 "[*** * * *** ** *-** **** +*]" 1 4258 1 230 VAL H 1 231 ASP H 3.400 2.700 4.000 4.337 2.519 4.610 0.610 12 13 "[ * . **+ *. * *- *** **]" 1 4259 1 230 VAL H 1 232 THR MG 4.200 3.400 5.000 5.071 4.011 5.981 0.981 4 7 "[ +. *1* ** 2* . - 3]" 1 4260 1 230 VAL HA 1 230 VAL HB 3.000 2.400 3.600 2.805 2.408 3.024 . 0 0 "[ . 1 . 2 . 3]" 1 4261 1 230 VAL HA 1 230 VAL MG1 3.100 2.500 3.700 2.394 2.259 3.203 0.241 5 0 "[ . 1 . 2 . 3]" 1 4262 1 230 VAL HA 1 230 VAL QG 3.200 2.600 3.800 2.185 2.114 2.348 0.486 4 0 "[ . 1 . 2 . 3]" 1 4263 1 230 VAL HA 1 231 ASP H 3.000 2.400 3.100 2.257 2.137 2.921 0.263 16 0 "[ . 1 . 2 . 3]" 1 4264 1 230 VAL HB 1 231 ASP H 3.500 2.800 4.200 3.721 2.124 4.390 0.676 3 1 "[ + . 1 . 2 . 3]" 1 4265 1 230 VAL HB 1 232 THR H 4.100 3.300 4.900 5.164 4.127 6.012 1.112 7 11 "[ ***+ *1 *-** 2* *. 3]" 1 4266 1 230 VAL HB 1 232 THR HB 3.300 2.600 4.000 5.337 4.249 6.025 2.025 18 26 "[ * *********-****+*** *******3]" 1 4267 1 230 VAL QG 1 231 ASP H 4.100 3.300 4.900 2.784 2.172 3.444 1.128 14 17 "[ * *.** ** * +- **** ** * *]" 1 4268 1 230 VAL QG 1 232 THR HA 4.400 3.500 5.300 4.495 3.859 5.316 0.016 11 0 "[ . 1 . 2 . 3]" 1 4269 1 230 VAL MG1 1 232 THR H 4.300 3.400 5.200 4.697 3.614 6.188 0.988 17 9 "[* * * * 1* . + 2 -. * *3]" 1 4270 1 231 ASP H 1 231 ASP HA 3.200 2.600 3.800 2.863 2.285 2.945 0.315 5 0 "[ . 1 . 2 . 3]" 1 4271 1 231 ASP H 1 231 ASP QB 3.400 2.700 3.800 2.544 2.257 3.303 0.443 22 0 "[ . 1 . 2 . 3]" 1 4272 1 231 ASP H 1 232 THR H 2.700 2.200 3.200 2.938 1.793 3.855 0.655 22 16 "[* .* - 1 ** .* **2 +* ******]" 1 4273 1 231 ASP HA 1 232 THR H 2.400 . 2.900 2.191 2.127 2.455 . 0 0 "[ . 1 . 2 . 3]" 1 4274 1 231 ASP QB 1 232 THR H 3.100 2.500 3.700 3.662 3.086 4.006 0.306 7 0 "[ . 1 . 2 . 3]" 1 4275 1 232 THR H 1 232 THR HA 3.000 2.400 3.600 2.770 2.562 2.853 . 0 0 "[ . 1 . 2 . 3]" 1 4276 1 232 THR H 1 232 THR MG 3.500 2.800 4.200 2.532 1.883 3.196 0.917 27 10 "[ **.** 1 * * 2* . +* -]" 1 4277 1 232 THR H 1 233 ASP H 2.700 2.200 3.200 2.464 1.792 3.800 0.600 13 5 "[* .* 1 + .- 2 . * 3]" 1 4278 1 232 THR HA 1 232 THR MG 3.500 2.800 4.200 2.865 2.287 3.210 0.513 20 2 "[ - 1 . + . 3]" 1 4279 1 232 THR HA 1 233 ASP H 2.900 2.300 3.500 2.770 2.135 3.571 0.165 1 0 "[ . 1 . 2 . 3]" 1 4280 1 232 THR HB 1 233 ASP H 4.100 3.300 4.900 3.854 2.657 4.452 0.643 29 1 "[ . 1 . 2 . +3]" 1 4281 1 232 THR MG 1 234 THR H 5.500 4.400 6.600 2.899 1.848 3.895 2.552 22 30 [******************-**+********] 1 4282 1 233 ASP H 1 233 ASP HA 3.200 2.600 3.800 2.789 2.265 2.944 0.335 15 0 "[ . 1 . 2 . 3]" 1 4283 1 233 ASP H 1 233 ASP QB 3.100 2.500 3.700 2.673 2.272 3.367 0.228 14 0 "[ . 1 . 2 . 3]" 1 4284 1 233 ASP H 1 234 THR H 3.800 3.000 4.600 3.256 2.148 4.527 0.852 19 10 "[ *. -* 1 *. *+2 * * **]" 1 4285 1 233 ASP HA 1 234 THR H 3.500 2.800 4.200 2.865 2.136 3.570 0.664 27 12 "[* - .* ** * * * 2 * *. +* 3]" 1 4286 1 233 ASP QB 1 234 THR H 4.100 3.300 4.900 3.083 1.881 4.024 1.419 5 10 "[ * + * 1 * .* *2* - .* *3]" 1 4287 1 234 THR H 1 234 THR HA 3.200 2.600 3.800 2.826 2.272 2.947 0.328 14 0 "[ . 1 . 2 . 3]" 1 4288 1 234 THR H 1 234 THR HB 3.800 3.200 4.600 3.282 2.524 4.014 0.676 12 7 "[ -. 1 +* . ** ** 3]" 1 4289 1 234 THR HA 1 234 THR HB 3.100 2.500 3.700 2.657 2.356 3.026 0.144 15 0 "[ . 1 . 2 . 3]" 1 4290 1 234 THR HA 1 234 THR MG 4.100 3.300 4.900 2.558 2.317 3.210 0.983 18 23 "[*** ** -******. *+*2* *** ****]" 1 4291 1 236 ALA H 1 236 ALA MB 3.100 2.500 3.700 2.479 2.210 2.892 0.290 13 0 "[ . 1 . 2 . 3]" 1 4292 1 236 ALA HA 1 237 VAL H 2.800 2.200 3.400 2.245 2.136 2.511 0.064 5 0 "[ . 1 . 2 . 3]" 1 4293 1 236 ALA HA 1 237 VAL H 2.300 . 2.800 2.242 2.135 2.507 . 0 0 "[ . 1 . 2 . 3]" 1 4294 1 236 ALA HA 1 237 VAL QG 4.600 3.700 5.500 3.091 2.867 3.591 0.833 5 27 "[** + ******-*****************]" 1 4295 1 236 ALA MB 1 237 VAL H 4.300 3.400 5.200 2.937 2.185 3.527 1.215 2 13 "[ +* . ** * *-** * *** 3]" 1 4296 1 236 ALA MB 1 237 VAL HA 4.400 3.500 5.300 3.660 3.447 3.884 0.053 15 0 "[ . 1 . 2 . 3]" 1 4297 1 237 VAL H 1 237 VAL HA 3.500 2.800 4.200 2.852 2.264 2.950 0.536 5 3 "[ * + 1 -. 2 . 3]" 1 4298 1 237 VAL H 1 237 VAL HB 3.200 2.600 3.400 3.137 2.512 3.726 0.326 20 0 "[ . 1 . 2 . 3]" 1 4299 1 237 VAL H 1 237 VAL QG 3.300 2.600 4.000 2.219 1.829 3.284 0.771 1 13 "[+ *. * 1* - . *****.** *3]" 1 4300 1 237 VAL H 1 238 ALA H 3.700 3.000 4.400 4.202 2.293 4.631 0.707 9 2 "[ . +1 . - 2 . 3]" 1 4301 1 237 VAL HA 1 237 VAL HB 3.300 2.900 4.000 2.659 2.427 3.023 0.473 19 0 "[ . 1 . 2 . 3]" 1 4302 1 237 VAL HA 1 237 VAL QG 3.400 2.700 4.100 2.223 2.096 2.318 0.604 17 11 "[ * *** - * *.*+* 2 . *]" 1 4303 1 237 VAL HA 1 238 ALA H . 2.600 3.200 2.336 2.132 3.042 0.468 3 0 "[ . 1 . 2 . 3]" 1 4304 1 237 VAL HB 1 238 ALA H . 3.600 4.300 3.743 1.997 4.447 1.603 22 7 "[* *. 1- . 2*+* . * 3]" 1 4305 1 238 ALA H 1 238 ALA HA 3.200 2.600 3.800 2.817 2.270 2.950 0.330 4 0 "[ . 1 . 2 . 3]" 1 4306 1 238 ALA H 1 238 ALA MB 3.300 2.600 4.000 2.548 2.226 2.873 0.374 3 0 "[ . 1 . 2 . 3]" 1 4307 1 238 ALA H 1 240 LEU QD 4.200 3.400 5.000 4.860 2.002 5.729 1.398 12 10 "[ *. * 1 + ** **** .- 3]" 1 4308 1 238 ALA HA 1 239 ASP H 2.700 2.200 3.200 3.055 2.143 3.574 0.374 11 0 "[ . 1 . 2 . 3]" 1 4309 1 239 ASP H 1 239 ASP QB 3.200 2.600 3.600 2.825 2.414 3.370 0.186 11 0 "[ . 1 . 2 . 3]" 1 4310 1 239 ASP QB 1 240 LEU H 3.500 3.000 4.200 3.068 1.978 4.013 1.022 24 6 "[ - . 1 * . *2 * +.* 3]" 1 4311 1 240 LEU H 1 240 LEU HA 3.200 2.600 3.800 2.845 2.267 2.939 0.333 12 0 "[ . 1 . 2 . 3]" 1 4312 1 240 LEU H 1 240 LEU QB 3.600 3.000 4.300 2.601 2.239 3.291 0.761 14 17 "[ **** * 1 *+.****-* * * * *]" 1 4313 1 240 LEU H 1 240 LEU QB 2.600 2.100 3.100 2.414 1.769 3.221 0.331 29 0 "[ . 1 . 2 . 3]" 1 4314 1 240 LEU H 1 240 LEU QD 4.100 3.300 4.900 2.960 1.813 4.045 1.487 17 13 "[ * * *1 ** . +**2 *** -*]" 1 4315 1 240 LEU H 1 241 GLU QB 4.500 3.600 5.400 4.681 3.469 6.015 0.615 19 1 "[ . 1 . +2 . 3]" 1 4316 1 240 LEU HA 1 240 LEU QB 3.000 2.600 3.600 2.348 2.156 2.451 0.444 26 0 "[ . 1 . 2 . 3]" 1 4317 1 240 LEU HA 1 240 LEU QD 3.800 3.000 4.600 2.341 1.859 3.404 1.141 8 21 "[- **.**+ *****.* ******** * 3]" 1 4318 1 240 LEU HA 1 240 LEU HG 3.400 2.700 4.100 3.228 2.424 3.732 0.276 27 0 "[ . 1 . 2 . 3]" 1 4319 1 240 LEU HA 1 241 GLU H 3.200 2.600 3.800 2.423 1.961 2.815 0.639 12 6 "[ * . - 1*+ *. *2 . 3]" 1 4320 1 240 LEU QD 1 241 GLU H 4.600 3.700 5.500 3.556 2.351 4.407 1.349 8 7 "[ * . +*1 ** 2 .- *3]" 1 4321 1 241 GLU H 1 241 GLU QB 3.100 2.500 3.700 2.607 2.224 3.379 0.276 29 0 "[ . 1 . 2 . 3]" 1 4322 1 241 GLU H 1 241 GLU QG 4.300 3.400 5.200 3.406 2.006 4.498 1.394 9 11 "[ *.* *+1* * * ** * . -]" 1 stop_ save_
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