NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
27879 | 2stt | cing | 1-original | 14 | PIPP | chemical shift |
# Assignment Table: /spain1/mwerner/ets/etsass_shifts_pippalt # Path: /tm/net/spicy2/mwerner/ets/c13c12noe100 # User: mwerner # Date: Tue Jul 30 15:16:04 1996 SHIFT_FL_FRMT RES_SIAD FIRST_RES_IN_SEQ 1 EXP_PEAK_PICK_TBL Label Exp Par Fl Peak-Pick Fl #-Cross-Ref A ft/hncocic hnco_stapp 393 B cnic.DAT hsqc_stapp 260 C ft/cbcaconhcic cbcaconhcic_stapp 754 D ft/hncacic hnca_stapp 599 E ft/cbcanhcic CBCANHCIC_stapp 655 F ft2/hncacbcic junk 1000 G ft/hcchcoscic ft/hcchcoscic 54 H ft/trick ft/trick 37 I ft/trick ft/trick 5 J ft/hnhagrad hnhagradcic 0 K ft/noesyhsqc80 noesyhsqc80cic 0 L ft/hohaha15n hohaha15ncic 0 M ft/hbhaconhcic hbhaconhcic 0 N ft/hbhaconhcic hbhaconh 0 O ft/hcchcosct hcchcosct 0 P noesy11leftdec.DAT noesy11decleft 50 Q ft2/c13c12noe75 c13c12noe75 0 R noesyirr100.DAT noesyirr100 15 S noesynoc.DAT noesynoc75 0 T noesy11fulldec.DAT noesy11decright 0 U ft/c13noe3d80 c13noe3d80 71 V ft/n15noe n15noecic 0 W noesy11fulldec300.DAT noesy11fulldec300.DAT 0 X noesy11fulldec50.DAT noesy11fulldec50.DAT 0 Y noesy11left155ca.DAT noesy11left155ca.DAT 0 Z noesy11leftdec.DAT noesy11leftdec.DAT 0 ZA ft/noesyhmqc c13noehmqc 129 ZB noesy11left155ca.DAT noesy11decleftca 0 ZC ft/c13c12noe75 c13c12noe75alt 3 ZD ft/c13c12noe100 c13c12noe100 12 ZE ft/4dchnoe 4dchnoe 0 ZF ft/c13noe3d120 c13noe3d120 405 RES_ID 1 RES_TYPE ARG PREV_TYPE LEU(36.3) PHE(26.0) TYR(23.9) ASP(13.8) SPIN_SYSTEM_ID 91 HETEROGENEITY 100 C:-1 178.7400 (A.91) HN \ 8.0300 (A.91 B.100 C.161 C.163 D.100 D.101 E.88 E.89 E.231 F.545 F.283 F.284 F.287) N \ 118.9200 (A.91 B.100 C.161 C.163 D.100 D.101 E.88 E.89 E.231 F.545 F.283 F.284 F.287) CA:-1 56.2400 (C.163 D.101 F.545) CB:-1 42.1100 (C.161 E.88 F.284) C*:-1 26.8400 C*:-1 25.0200 C*:-1 23.6400 HA:-1 4.2300 HB1|HB2:-1 1.6000 HG1|HG2:-1 0.7800 CA 57.0900 (D.100 E.231 F.283) CB 30.3700 (E.89 F.287) CG 27.3900 CD 43.5800 HA 4.1500 HB1|HB2 1.8510 HD1|HD2 3.0900 HG1|HG2 1.6100 HB1|HB2 1.4960 END_RES_DEF RES_ID 2 RES_TYPE ALA PREV_TYPE TRP(19.2) HIS(19.0) ARG(17.1) GLU(16.5) CYS(12.8) \ GLN(5.4) SPIN_SYSTEM_ID 31 HETEROGENEITY 100 C:-1 176.7500 (A.38) HN \ 7.9800 (A.38 B.45 C.57 C.61 D.169 D.170 E.275 E.164 E.165 E.277 E.276 F.508 F.155 F.507 F.506 F.512) N \ 122.8100 (A.38 B.45 C.57 C.61 D.169 D.170 E.275 E.164 E.165 E.277 E.276 F.508 F.155 F.507 F.506 F.512) CA:-1 57.0800 (C.57 D.169 E.165 F.508) CB:-1 30.4300 (C.61 E.275 E.277 F.507 F.512) CG:-1 27.3900 CD:-1 43.5800 HA:-1 4.1400 HD1|HD2:-1 3.0900 HG1|HG2:-1 1.8200 HG1|HG2:-1 1.6100 CA 53.4400 (D.170 E.276 F.155) CB 19.1400 (E.164 F.506) HA 4.2300 HB# 1.4360 END_RES_DEF RES_ID 3 RES_TYPE ASP PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 103 HETEROGENEITY 100 C:-1 179.1400 (A.103) HN \ 8.1300 (A.103 B.99 C.288 C.183 D.86 D.87 E.71 E.72 E.74 E.75 F.317 F.321 F.548 F.550) N \ 117.9100 (A.103 B.99 C.288 C.183 D.86 D.87 E.71 E.72 E.74 E.75 F.317 F.321 F.548 F.550) CA:-1 53.4400 (C.183 D.87 E.74 F.548) CB:-1 19.1600 (C.288 E.71 F.550) C*:-1 22.7100 HA:-1 4.2300 HB#:-1 1.4100 CA 54.7300 (D.86 E.75 F.317) CB 41.0300 (E.72 F.321) HA 4.5800 HB1|HB2 2.7400 HB1|HB2 2.6630 END_RES_DEF RES_ID 4 RES_TYPE LEU PREV_TYPE ASP(48.1) LEU(24.0) PHE(12.4) TYR(11.6) SPIN_SYSTEM_ID 54 HETEROGENEITY 100 C:-1 176.5500 (A.61) HN \ 7.9200 (A.61 B.119 C.95 C.96 D.138 D.139 E.253 E.261 E.260 E.137 F.199 F.200 F.522 F.201) N \ 121.0400 (A.61 B.119 C.95 C.96 D.138 D.139 E.253 E.261 E.260 E.137 F.199 F.200 F.522 F.201) CA:-1 54.7300 (C.95 D.139 E.253 F.200) CB:-1 41.0300 (C.96 E.261 F.522) HA:-1 4.5800 HB1|HB2:-1 2.6700 CA 55.8400 (D.138 E.137 F.199) CB 42.2200 (E.260 F.201) CG 26.8600 HA 4.2200 HG 1.5400 HB1|HB2 1.5500 HB1|HB2 1.4100 CD1|CD2 25.2200 HD1#|HD2# 1.6000 CD1|CD2 23.7600 HD1#|HD2# 0.7550 END_RES_DEF RES_ID 5 RES_TYPE ASN PREV_TYPE LEU(38.5) PHE(24.6) TYR(22.4) ASP(14.5) SPIN_SYSTEM_ID 104 HETEROGENEITY 100 C:-1 177.8700 (A.104) HN \ 8.1900 (A.104 B.34 C.190 C.191 D.81 D.83 E.59 E.60 E.61 E.62 E.68 F.551 F.331 F.325 F.552) N \ 117.6100 (A.104 B.34 C.190 C.191 D.81 D.83 E.59 E.60 E.61 E.62 E.68 F.551 F.331 F.325 F.552) CA:-1 55.9100 (C.191 D.81 E.61 F.551) CB:-1 42.1600 (C.190 E.59 E.62 F.552) C*:-1 26.8600 C*:-1 25.2200 C*:-1 23.4000 HA:-1 4.2200 HB:-1 1.5500 HG:-1 1.4100 HG:-1 1.6000 HD:-1 0.7700 CA 53.5500 (D.83 E.68 F.325) CB 39.1000 (E.60 F.331) ND 112.6300 (B.58 B.86) HA 4.6900 HB1|HB2 2.7100 HB1|HB2 2.8900 HD1|HD2 7.6100 (B.58) HD1|HD2 6.8900 (B.86) END_RES_DEF RES_ID 6 RES_TYPE LYS PREV_TYPE ASN(57.0) ASP(26.8) SPIN_SYSTEM_ID 64 HETEROGENEITY 100 C:-1 174.0200 (A.69) HN \ 8.0000 (A.69 B.116 C.108 C.110 D.129 D.130 E.123 E.126 E.129 E.130 F.218 F.222 F.530 F.584) N \ 120.5500 (A.69 B.116 C.108 C.110 D.129 D.130 E.123 E.126 E.129 E.130 F.218 F.222 F.530 F.584) CA:-1 53.6000 (C.108 D.130 E.129 F.584) CB:-1 39.0500 (C.110 E.123 F.530) HA:-1 4.6900 HB1|HB2:-1 2.8800 CA 57.0100 (D.129 E.130 F.218) CB 32.9300 (E.126 F.222) CG 24.8600 CD 29.1100 CE 42.0600 HA 4.2500 HB1|HB2 1.8700 HB1|HB2 1.8100 HG1|HG2 1.4400 HD1|HD2 1.6900 HE1|HE2 3.0060 END_RES_DEF RES_ID 7 RES_TYPE ASP SPIN_SYSTEM_ID 85 HETEROGENEITY 100 C:-1 175.7200 (A.85) HN \ 8.2800 (A.85 B.111 C.149 C.150 D.107 D.108 E.93 E.94 E.95 E.96 F.54 F.265 F.267 F.269) N \ 119.3300 (A.85 B.111 C.149 C.150 D.107 D.108 E.93 E.94 E.95 E.96 F.543 F.265 F.267 F.269) CA:-1 57.0400 (C.150 D.107 E.96 F.265) CB:-1 32.9200 (C.149 E.93) C*:-1 29.2800 C*:-1 24.6900 HA:-1 4.2500 HB1|HB2:-1 1.8300 HG1|HG2:-1 1.6600 HG1|HG2:-1 1.4000 CA 54.8000 (D.108 E.98 F.267) CB 41.2300 (E.95 F.269) HA 4.5900 HB1|HB2 2.6700 HB1|HB2 2.7340 END_RES_DEF RES_ID 8 RES_TYPE LYS PREV_TYPE ASP(43.7) LEU(27.0) PHE(13.4) TYR(12.6) SPIN_SYSTEM_ID 63 HETEROGENEITY 100 C:-1 174.4100 (A.68) HN \ 7.8300 (A.68 B.117 C.106 C.109 D.132 D.133 E.121 E.125 E.246 F.531 F.219 F.221 F.223) N \ 120.5300 (A.68 B.117 C.106 C.109 D.132 D.133 E.121 E.125 E.246 F.53 F.219 F.221 F.223) CA:-1 54.8200 (C.106 D.132 F.531) CB:-1 41.2200 (C.109 E.121 F.221) HA:-1 4.5800 HB1|HB2:-1 2.6700 CA 54.0300 (D.133 E.246 F.219) CB 32.8600 (E.125 F.223) HA 4.5400 HB1|HB2 1.7120 HG1|HG2 1.6600 HD1|HD2 1.3600 END_RES_DEF RES_ID 9 RES_TYPE PRO SPIN_SYSTEM_ID 201 HETEROGENEITY 100 CA 63.0800 (C.102 C.117 D.254) CB 32.0600 (C.102 C.116) CG 27.3900 CD 45.4000 HA 4.3400 HB1|HB2 2.0800 HB1|HB2 1.7400 HG1|HG2 1.6800 HD1|HD2 4.1020 HD1|HD2 3.8330 END_RES_DEF RES_ID 10 RES_TYPE VAL PREV_TYPE VAL(100.0) SPIN_SYSTEM_ID 68 HETEROGENEITY 100 C:-1 176.1600 (A.72) HN 8.0800 (A.72 B.121 C.102 C.116 C.117 D.253 D.254 E.120 E.241 F.533) N 120.2600 (A.72 B.121 C.102 C.116 C.117 D.253 D.254 E.120 E.241 F.533) CA:-1 63.0800 (C.102 C.117 D.254) CB:-1 32.0600 (C.102 C.116) C*:-1 45.4000 C*:-1 27.3900 HA:-1 4.3400 HB1|HB2:-1 2.0100 HB1|HB2:-1 1.6900 CA 62.3800 (D.253 E.120) CB 32.8100 (E.241) CG2 21.3200 HG2# 0.8440 CG1 20.8100 HG1# 0.9130 HA 4.0300 HB1|HB2 2.0070 END_RES_DEF RES_ID 11 RES_TYPE ILE PREV_TYPE VAL(100.0) SPIN_SYSTEM_ID 23 HETEROGENEITY 100 C:-1 174.2300 (A.29) HN \ 7.8400 (A.29 B.50 C.41 C.42 D.178 D.263 D.182 E.281 E.178 E.179 F.132 F.139 F.127 F.128) N \ 123.6200 (A.29 B.50 C.41 C.42 D.178 D.263 D.182 E.281 E.178 E.179 F.132 F.139 F.127 F.128) CA:-1 62.4300 (C.41 D.178 D.263 E.178 F.127) CB:-1 32.8000 (C.42 E.281 F.139) C*:-1 27.0700 C*:-1 21.2200 HA:-1 4.0300 HB1|HB2:-1 1.9800 HG1|HG2:-1 0.8500 CA 58.4100 (D.182 E.179 F.128) CB 38.8000 (F.132) CG1 26.7800 CG2 17.5500 CD1 13.0100 HA 4.3300 HB 1.7100 HG11|HG12 1.0200 HG2# 0.8000 HD1# 0.7070 END_RES_DEF RES_ID 12 RES_TYPE PRO SPIN_SYSTEM_ID 202 HETEROGENEITY 100 CA 63.2600 (C.46 D.177 F.133) CB 31.7900 (C.44 F.505) CG 29.4600 CD 50.0200 HA 4.1500 HB1|HB2 1.9750 HB1|HB2 1.6180 HG1|HG2 1.8050 HD1|HD2 3.1600 END_RES_DEF RES_ID 13 RES_TYPE ALA PREV_TYPE PRO(100.0) SPIN_SYSTEM_ID 26 HETEROGENEITY 100 C:-1 176.3600 (A.33) HN \ 8.2500 (A.33 B.154 C.44 C.46 D.177 D.180 E.173 E.176 F.133 F.137 F.505 F.504) N \ 123.5400 (A.33 B.154 C.44 C.46 D.177 D.180 E.173 E.176 F.133 F.137 F.505 F.504) CA:-1 63.2600 (C.46 D.177 F.133) CB:-1 31.7900 (C.44 F.505) HA:-1 4.1500 CA 53.8900 (D.180 E.176 F.137) CB 18.6700 (E.173 F.504) HA 4.0550 HB# 1.3000 END_RES_DEF RES_ID 14 RES_TYPE ALA SPIN_SYSTEM_ID 73 HETEROGENEITY 100 C:-1 180.9700 (A.76) HN 8.2800 (A.76 B.106 C.124 C.125 D.122 E.114 E.117 F.234 F.240) N 120.0900 (A.76 B.106 C.124 C.125 D.122 E.114 E.117 F.234 F.240) CA:-1 53.9600 (C.125) CB:-1 18.6400 (C.124 E.114 F.240) C*:-1 22.3400 HA:-1 4.0400 HB#:-1 1.3000 CA 53.7500 (D.122 E.117 F.234) CB 18.6500 HA 4.0700 HB# 1.2740 END_RES_DEF RES_ID 15 RES_TYPE ALA PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 84 HETEROGENEITY 100 C:-1 179.7700 (A.84) HN 7.8100 (A.84 B.101 C.147 C.148 D.109 E.94 E.97 F.266 F.268) N 119.2700 (A.84 B.101 C.147 C.148 D.109 E.94 E.97 F.266 F.268) CA:-1 53.7000 (C.148) CB:-1 18.9200 (C.147 E.94 F.268) C*:-1 22.6100 HA:-1 4.0700 HB#:-1 1.2600 CA 53.0400 (D.109 E.97 F.266) CB 19.1800 HA 4.2100 HB# 1.3150 END_RES_DEF RES_ID 16 RES_TYPE LEU PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 95 HETEROGENEITY 100 C:-1 179.2500 (A.95) HN \ 7.6000 (A.95 B.120 C.168 C.169 D.96 D.97 E.83 E.85 E.87 F.306 F.291 F.295 F.298) N \ 118.4500 (A.95 B.120 C.168 C.169 D.96 D.97 E.83 E.85 E.87 F.306 F.291 F.295 F.298) CA:-1 53.0800 (C.168 D.97 E.85 F.291) CB:-1 19.0100 (C.169 F.298) C*:-1 22.7900 HA:-1 4.2100 HB#:-1 1.3000 CA 55.5000 (D.96 E.87 F.295) CB 42.4100 (E.83 F.306) CG 27.5000 CD1|CD2 25.2000 HD1#|HD2# 0.8470 CD1|CD2 23.3200 HD1#|HD2# 0.7400 HA 4.2400 HB1|HB2 1.6430 HB1|HB2 1.5770 END_RES_DEF RES_ID 17 RES_TYPE ALA PREV_TYPE LEU(45.0) PHE(21.1) TYR(19.2) ASP(14.7) SPIN_SYSTEM_ID 34 HETEROGENEITY 100 C:-1 177.8300 (A.42) HN \ 7.8700 (A.42 B.49 C.64 C.65 D.167 D.168 E.274 E.161 E.162 E.163 F.159 F.161 F.513 F.162) N \ 122.4700 (A.42 B.49 C.64 C.65 D.167 D.168 E.274 E.161 E.162 E.163 F.159 F.161 F.513 F.162) CA:-1 55.5000 (C.64 D.167 E.162 F.159) CB:-1 42.3500 (C.65 E.274 F.513) CG:-1 27.0500 CD1|2:-1 25.2000 CD1|2:-1 23.3200 HA:-1 4.2400 HB1|HB2:-1 1.5900 HD1#|HD2#:-1 0.7300 CA 53.0800 (D.168 E.163 F.161) CB 19.2400 (E.161 F.162) HA 4.3100 HB# 1.4320 END_RES_DEF RES_ID 18 RES_TYPE GLY PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 1 HETEROGENEITY 100 C:-1 179.3200 (A.1) HN \ 8.0800 (A.1 B.129 C.1 C.2 D.215 D.216 E.196 E.197 E.289 E.198 F.492 F.7 F.493) N \ 131.8200 (A.1 B.129 C.1 C.2 D.215 D.216 E.196 E.197 E.289 E.198 F.492 F.7 F.493) CA:-1 53.0900 (C.2 D.215 E.289 E.198 F.492) CB:-1 19.2200 (C.1 E.196 F.493) C*:-1 22.9200 HA:-1 4.3100 HB:-1 1.4300 CA 45.3500 (D.216 E.197 F.7) HA1 3.9490 HA2 4.0780 END_RES_DEF RES_ID 19 RES_TYPE TYR PREV_TYPE GLY(100.0) SPIN_SYSTEM_ID 62 HETEROGENEITY 100 C:-1 170.8900 (A.67) HN \ 8.1200 (A.67 B.112 C.107 D.128 D.131 E.122 E.124 E.128 F.215 F.217 F.529 F.534) N \ 120.4700 (A.67 B.112 C.107 D.128 D.131 E.122 E.124 E.128 F.215 F.217 F.529 F.534) CA:-1 45.3400 (C.107 D.131 E.122 F.217) HA1:-1 4.3400 HA2:-1 3.9400 CA 58.2800 (D.128 E.128 F.215) CB 38.9500 (E.124 F.529) HA 4.6300 (-R.214) HB1|HB2 2.9900 (-ZA.24 -ZA.34) CD1|CD2 133.4400 (-ZA.24 -ZA.32) CE1|CE2 118.2800 (-ZA.34 -ZF.21) HD1|HD2 7.1600 (-ZA.24 -ZA.32 -R.214 -ZF.21) HE1|HE2 6.8000 (-ZA.34 -ZF.21) END_RES_DEF RES_ID 20 RES_TYPE THR PREV_TYPE TYR(42.8) PHE(40.4) ILE(9.3) ASP(7.4) SPIN_SYSTEM_ID 121 HETEROGENEITY 100 C:-1 176.0600 (A.122) HN \ 8.1000 (A.122 B.37 C.216 C.217 D.63 D.65 D.69 E.218 E.217 E.43 E.44 E.219 E.48 F.373 F.377 F.378 F.380) N \ 115.9900 (A.122 B.37 C.216 C.217 D.63 D.65 D.69 E.218 E.217 E.43 E.44 E.219 E.48 F.373 F.377 F.378 F.380) CA:-1 58.2500 (C.216 D.65 D.69 E.43 E.48 F.377) CB:-1 38.9300 (C.217 E.218 E.219 F.373) HA:-1 4.6300 HB1|HB2:-1 2.9900 CA 61.8000 (D.63 E.44 F.378) CB 70.1100 (E.217 F.380) CG2 21.5300 HA 4.3000 HB 4.3030 HG2# 1.2230 END_RES_DEF RES_ID 21 RES_TYPE GLY PREV_TYPE THR(100.0) SPIN_SYSTEM_ID 147 HETEROGENEITY 100 C:-1 173.2700 (A.167) HN 7.2000 (A.167 B.77 C.251 C.252 D.21 D.276 E.6 E.199 F.469) N 109.2200 (A.167 B.77 C.251 C.252 D.21 D.276 E.6 E.199 F.469) CA:-1 61.8600 (C.252 D.276 E.199) CB:-1 70.1300 (C.251) CG:-1 21.4500 HA:-1 4.3100 HG:-1 1.1900 CA 45.5700 (D.21 E.6 F.469) HA1 4.0500 HA2 3.8300 END_RES_DEF RES_ID 22 RES_TYPE SER PREV_TYPE GLY(100.0) SPIN_SYSTEM_ID 129 HETEROGENEITY 100 C:-1 170.0500 (A.130) HN \ 7.9000 (A.130 B.48 C.231 D.51 D.53 E.29 E.30 E.31 E.32 F.404 F.409 F.557) N \ 114.4000 (A.130 B.48 C.231 D.51 D.53 E.29 E.30 E.31 E.32 F.404 F.409 F.557) CA:-1 45.5600 (C.231 D.53 E.29 E.30 F.404) HA1:-1 4.0500 HA2:-1 3.8300 CA 57.8400 (D.51 E.32 F.409) CB 64.6100 (E.31 F.557) HA 4.6300 HB1|HB2 4.3500 HB1|HB2 3.8400 END_RES_DEF RES_ID 23 RES_TYPE GLY PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 141 HETEROGENEITY 100 C:-1 171.4900 (A.157) HN 8.3700 (A.157 B.27 C.296 C.297 D.30 D.32 E.201 E.203 F.454 F.562 F.563) N 110.3900 (A.157 B.27 C.296 C.297 D.30 D.32 E.201 E.203 F.454 F.562 F.563) CA:-1 57.8600 (C.297 D.30 E.201 E.203 F.562) CB:-1 64.6600 (C.296 F.563) HA:-1 4.6300 HB1|HB2:-1 3.8200 CA 44.6500 (D.32 F.454) HA1 4.0800 HA2 4.2700 END_RES_DEF RES_ID 24 RES_TYPE PRO SPIN_SYSTEM_ID 203 HETEROGENEITY 100 CA 63.3300 (C.70 D.154 D.156 E.272 F.174) CB 32.2300 (C.72 E.270 F.168) CG 27.6300 CD 51.2800 HA 4.4600 HB1|HB2 2.2820 HB1|HB2 1.9780 HG1|HG2 2.0800 HG1|HG2 1.9760 HD1|HD2 3.7070 (-ZF.313 -ZF.314) HD1|HD2 3.8680 END_RES_DEF RES_ID 25 RES_TYPE ILE PREV_TYPE VAL(100.0) SPIN_SYSTEM_ID 38 HETEROGENEITY 100 C:-1 176.4100 (A.46) HN \ 8.2000 (A.46 B.105 C.70 C.72 D.154 D.156 D.158 E.271 E.270 E.272 E.152 F.168 F.174 F.175 F.179) N \ 122.0300 (A.46 B.105 C.70 C.72 D.154 D.156 D.158 E.271 E.270 E.272 E.152 F.168 F.174 F.175 F.17) CA:-1 63.3300 (C.70 D.154 D.156 E.272 F.174) CB:-1 32.2300 (C.72 E.270 F.168) C*:-1 27.6300 HA:-1 4.4600 HB1|HB2:-1 2.1200 CA 60.4300 (D.158 E.152 F.175) CB 40.3400 (E.271 F.179) CG1 30.1700 CG2 16.6900 CD1 14.5500 HA 4.3000 HB 1.7000 HG2# 0.9290 HG1|HG2 1.4460 HD1# 0.8600 END_RES_DEF RES_ID 26 RES_TYPE GLN PREV_TYPE ILE(51.1) PHE(25.4) TYR(20.1) SPIN_SYSTEM_ID 29 HETEROGENEITY 100 C:-1 170.0500 (A.36) HN 7.8400 (A.36 B.51 C.52 C.267 D.174 F.147 F.151 F.153) N 123.0100 (A.36 B.51 C.52 C.267 D.174 F.147 F.151 F.153) CA:-1 60.4500 (C.52 F.147) CB:-1 40.1700 (C.267) CA 54.5400 (D.174 F.151) CB 32.1500 (F.153) CG 35.6600 HA 5.0700 HB1|HB2 1.4200 (-R.135 -R.110) HG1|HG2 2.5220 NE2 111.0200 HE21|HE22 7.2800 HE21|HE22 8.0700 END_RES_DEF RES_ID 27 RES_TYPE LEU SPIN_SYSTEM_ID 6 HETEROGENEITY 100 C:-1 178.6500 (A.8) HN 9.8800 (A.8 B.4 C.9 C.261 D.277 -P.106 -P.350 -P.352 -P.41) N 127.6400 (A.8 B.4 C.9 C.261 D.277) CA:-1 54.6500 (C.9 D.277) CB:-1 32.1500 (C.261) HA:-1 4.4400 CA 58.8600 CB 39.9400 HA 3.9630 (-ZF.143) CG 26.7300 (-ZF.157) HG 1.1200 (-P.286 -ZA.15 -U.156 -ZF.157 -ZF.318 -ZF.325) CD1|CD2 26.1400 (-ZF.143) HD1#|HD2# 0.6500 (-R.72 -ZA.9 -ZA.65 -U.155 -ZF.143 -ZF.381) CD1|CD2 19.7600 HD1#|HD2# \ -0.3800 (-U.85 -U.440 -U.448 -U.750 -ZF.64 -ZF.82 -ZF.157 -ZF.102 -ZF.319) END_RES_DEF RES_ID 28 RES_TYPE TRP PREV_TYPE PHE(31.7) TYR(29.2) ILE(22.6) ASP(11.8) SPIN_SYSTEM_ID 119 HETEROGENEITY 100 C:-1 180.1600 (A.120) HN \ 8.7300 (A.120 B.19 C.214 C.309 D.68 E.42 F.370 F.555 -P.106 -P.352 -P.230 -P.40 -ZA.6 -ZA.69) N 116.0300 (A.120 B.19 C.214 C.309 D.68 E.42 F.370 F.555) CA:-1 58.8600 (C.214) CB:-1 39.9400 (C.309) CA 60.3500 (D.68 E.42 F.370) CB 27.6100 (F.555) HA 4.0900 (-P.366 -P.35 -ZF.160 -ZF.437) HB1|HB2 3.3700 (-ZA.19 -R.177 -ZF.178 -ZF.366 -ZF.378 -P.34) HB1|HB2 2.8450 (-ZA.8 -ZF.367) NE1 129.5100 HE1 9.9800 (-P.232 -P.5 -P.230 -P.349 -P.366 -P.261 -P.281 -P.369 -P.178) CD1 127.7000 (-ZA.1 -ZA.15 -ZF.160) HD1 7.4150 (-P.5 -P.38 -ZA.1 -ZA.15 -ZF.160 -ZF.360) CZ2 114.9200 (-ZF.172 -ZF.171) HZ2 7.5500 (-U.132 -R.298 -R.135 -ZF.172 -ZF.171 -ZF.176 -ZF.186) CE3 122.3700 (-ZA.17 -U.623 -U.626 -ZF.175 -ZF.176 -ZF.174 -ZF.178) HE3 \ 6.8709 (-ZA.17 -U.623 -U.131 -U.626 -ZF.172 -ZF.175 -ZF.176 -ZF.174 -ZF.178 -ZF.188 -ZF.373) CZ3 120.2800 (-ZA.19 -U.667) HZ3 7.2782 (-ZA.19 -U.623 -U.667 -R.177 -R.126 -ZF.175) CH2 125.0700 (-ZA.22 -U.131 -U.132 -ZF.186 -ZF.188) HH2 7.1452 (-ZA.22 -U.131 -U.132 -R.110 -ZF.171 -ZF.174 -ZF.186 -ZF.188) END_RES_DEF RES_ID 29 RES_TYPE GLN PREV_TYPE CYS(43.6) GLN(33.9) GLU(12.0) TRP(6.0) SPIN_SYSTEM_ID 75 HETEROGENEITY 100 C:-1 176.1400 (A.78) HN 5.8400 (A.78 B.93 C.306 C.128 D.119 F.238 F.242) N 119.9600 (A.78 B.93 C.306 C.128 D.119 F.238 F.242) CA:-1 60.3600 (C.128) CB:-1 27.6900 (C.306 F.238) HA:-1 4.0900 CA 58.0900 (D.119 F.242) CB 27.8980 (F.238) HA 5.0800 HB1|HB2 3.3600 NE2 110.3400 HE21|HE22 6.7900 HE21|HE22 6.5000 END_RES_DEF RES_ID 30 RES_TYPE PHE SPIN_SYSTEM_ID 37 HETEROGENEITY 100 C:-1 180.1400 (A.45) HN 8.1600 (A.45 C.271 C.73 D.157) N 122.0100 (A.45 C.271 C.73 D.157) CA:-1 57.9900 (C.73) HB:-1 3.3600 CA 60.9900 (D.157 F.624) CB 40.0300 HA 4.1770 (-ZA.32) HB1|HB2 3.0300 (-ZA.38 -ZA.40) CD1|CD2 122.8600 (-ZA.37 -ZA.38 -ZF.435 -ZF.436 -ZF.437 -ZF.438) HD1|HD2 5.9850 (-ZA.37 -ZA.38 -ZF.435 -ZF.436 -ZF.437 -ZF.438) CE1|CE2 119.7500 (-ZA.40 -ZA.41) HE1|HE2 6.3200 (-ZA.40 -ZA.41 -ZF.435) CZ 132.6000 HZ 7.1130 (-U.728) END_RES_DEF RES_ID 31 RES_TYPE LEU PREV_TYPE ILE(46.1) PHE(30.2) TYR(23.7) SPIN_SYSTEM_ID 115 HETEROGENEITY 100 C:-1 176.5900 (A.116) HN 8.3300 (A.116 B.30 C.291 C.204 D.240 D.73 E.53 E.54 F.358 F.359 F.361) N 116.6900 (A.116 B.30 C.291 C.204 D.240 D.73 E.53 E.54 F.358 F.359 F.361) CA:-1 61.0100 (C.204 D.240 F.358) CB:-1 40.0300 (C.291) CA 58.0900 (D.73 E.54 F.359) CB 40.3300 (E.53 F.361) HA 3.5380 HB1|HB2 1.9350 CG 26.6100 HG 1.3000 (-U.169 -ZA.21 -ZF.61) CD2 22.2000 HD2# 0.6080 (-ZA.75) CD1 27.2900 HD1# 0.7330 (-ZF.331) END_RES_DEF RES_ID 32 RES_TYPE LEU SPIN_SYSTEM_ID 113 HETEROGENEITY 100 C:-1 180.0300 (A.113) HN 7.3700 (A.113 B.70 C.201 C.203 D.75 E.55 E.223) N 117.0800 (A.113 B.70 C.201 C.203 D.75 E.55 E.223) CA:-1 58.1300 (C.203 D.75 E.223 F.354) CB:-1 40.4500 (C.201) HA:-1 3.5400 CA 58.1100 CB 41.8100 (E.55 F.355) HA 3.9100 HB1|HB2 1.8100 CG 25.4500 HG 1.7700 CD1 25.0700 HD1# 0.8310 (-ZA.17 -ZA.22 -ZA.58 -U.667 -U.626 -R.126) CD2 24.3300 (-U.728) HD2# 0.6190 (-U.728 -ZF.370) END_RES_DEF RES_ID 33 RES_TYPE GLU PREV_TYPE LEU(45.6) PHE(15.4) TYR(14.9) ILE(13.7) ASP(10.2) SPIN_SYSTEM_ID 51 HETEROGENEITY 100 C:-1 181.2700 (A.58) HN 7.9700 (A.58 C.275 C.276 D.137 F.524 F.582 F.583) N 121.1300 (A.58 C.275 C.276 D.137 F.524 F.582 F.583) CA:-1 58.1100 (C.275 F.583) CB:-1 41.7900 (C.276 F.524) HA:-1 4.5800 HB1|HB2:-1 2.7000 CA 59.9300 (D.137) CB 29.1300 (F.582) CG 34.6500 HA 3.8300 HB1|HB2 2.1040 (G.7 H.7) HB1|HB2 2.1800 (H.8) HG1|HG2 2.5600 END_RES_DEF RES_ID 34 RES_TYPE LEU PREV_TYPE GLU(25.2) CYS(22.9) TRP(21.2) ARG(17.4) GLN(10.3) SPIN_SYSTEM_ID 100 HETEROGENEITY 100 C:-1 182.3100 (A.100) HN 7.6100 (A.100 B.160 C.176 C.177 D.88 F.303) N 118.1200 (A.100 B.160 C.176 C.177 D.88 F.303) CA:-1 59.9600 (C.177) CB:-1 29.2100 (C.176) HA:-1 3.8000 HB1|HB2:-1 2.1000 CA 57.8200 (D.88 F.303) CB 42.1500 CG 26.1900 CD1 22.9400 (H.12 I.1) HD1# 0.8500 (H.11) CD2 27.4300 (I.3) HD2# 0.7390 (I.2 -ZF.331) HA 4.0500 HB1|HB2 1.5800 HG 1.2740 END_RES_DEF RES_ID 35 RES_TYPE LEU PREV_TYPE LEU(48.8) PHE(16.2) TYR(15.2) ILE(11.1) ASP(8.7) SPIN_SYSTEM_ID 109 HETEROGENEITY 100 C:-1 182.4300 (A.109) HN 8.0300 (A.109 B.108 C.192 C.194 D.78 E.57 F.339 F.346) N 117.3300 (A.109 B.108 C.192 C.194 D.78 E.57 F.339 F.346) CA:-1 57.8800 (C.192) CB:-1 42.1500 (C.194 F.346) HA:-1 4.0500 CA 57.3600 (D.78 E.57 F.339) CB 41.9500 (F.346) CG 27.6600 HA 3.6400 HB1|HB2 1.5000 (-ZA.51) HG 0.8800 CD1 23.8140 HD1# -0.5770 (-ZF.352) CD2 24.1960 HD2# -0.2090 (-ZF.353) END_RES_DEF RES_ID 36 RES_TYPE THR PREV_TYPE LEU(39.2) PHE(21.0) TYR(19.8) ASP(13.6) ILE(6.4) SPIN_SYSTEM_ID 146 HETEROGENEITY 100 C:-1 179.5200 (A.166) HN 7.4500 (A.166 B.67 C.300 C.253 D.22 F.468) N 109.2000 (A.166 B.67 C.300 C.253 D.22 F.468) CA:-1 57.3500 (C.253) CB:-1 41.9500 (C.300) CA 62.2400 (D.22 F.626) CB 69.7100 CG2 21.6800 HA 4.4220 HB 3.3800 HG2# 1.4210 END_RES_DEF RES_ID 37 RES_TYPE ASP PREV_TYPE THR(100.0) SPIN_SYSTEM_ID 32 HETEROGENEITY 100 C:-1 169.2000 (A.39) HN 7.1900 (A.39 B.76 C.58 C.60 D.171 E.167 F.156 F.157 F.158) N 122.7500 (A.39 B.76 C.58 C.60 D.171 E.167 F.156 F.157 F.158) CA:-1 62.3100 (C.60 F.156) CB:-1 69.7100 (C.58) CG:-1 21.7000 HA:-1 4.4200 HB:-1 3.3800 HG:-1 1.3900 CA 52.6500 (D.171 E.167 F.157) CB 42.1500 (F.158) HA 4.8300 HB1|HB2 3.2900 HB1|HB2 2.6100 END_RES_DEF RES_ID 38 RES_TYPE LYS PREV_TYPE ASP(66.8) LEU(21.3) ASN(11.9) SPIN_SYSTEM_ID 15 HETEROGENEITY 100 C:-1 176.6900 (A.18) HN 8.8000 (A.18 B.95 C.27 C.28 D.192 D.193 E.185 E.186 F.87 F.88 F.91 F.92) N \ 125.8100 (A.18 B.95 C.27 C.28 D.192 D.193 E.185 E.186 F.87 F.88 F.91 F.92) CA:-1 52.6100 (C.27 D.193 F.88) CB:-1 42.2100 (C.28 F.91) CA 59.0600 (D.192 E.186 F.87) CB 32.1200 (E.185 F.92) CG 24.8200 CD 29.1200 CE 42.1300 HA 4.1600 (-ZA.49) HB1|HB2 1.9820 HG1|HG2 1.6400 HD1|HD2 1.8040 HE1|HE2 3.1210 (-ZA.50) END_RES_DEF RES_ID 39 RES_TYPE SER PREV_TYPE LYS(40.0) MET(31.7) TRP(10.5) VAL(5.7) SPIN_SYSTEM_ID 126 HETEROGENEITY 100 C:-1 180.5200 (A.127) HN 8.7700 (A.127 B.18 C.227 C.228 D.233 D.55 E.214 E.34 F.396 F.398) N 114.9400 (A.127 B.18 C.227 C.228 D.233 D.55 E.214 E.34 F.396 F.398) CA:-1 59.0700 (C.227 D.233) CB:-1 32.1600 (C.228 E.214) CG:-1 29.2600 CD:-1 24.8200 CE:-1 42.7800 HA:-1 4.1400 H*1|2:-1 1.9500 H*1|2:-1 1.7600 H*1|2:-1 1.6100 CA 60.9900 (D.55 E.34 F.396) CB 63.2300 (F.398) HA 4.4700 HB1|HB2 4.1600 (-ZF.441) HB1|HB2 4.0300 END_RES_DEF RES_ID 40 RES_TYPE CYS PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 78 HETEROGENEITY 100 C:-1 175.9800 (A.185) HN 8.1500 (A.185 B.157 C.285 C.130 D.113 E.107 E.299 F.541 F.585) N 119.7000 (A.185 B.157 C.285 C.130 D.113 E.107 E.299 F.541 F.585) CA:-1 61.0000 (C.285) CB:-1 63.3600 (C.130) HA:-1 4.4700 HB1|HB2:-1 3.8500 HB1|HB2:-1 4.0100 CA 59.4800 (D.113 E.107 F.541) CB 27.9600 (E.299 F.585) HA 4.3800 HB1|HB2 3.3700 (I.5 -ZA.59) HB1|HB2 2.5890 (I.4) END_RES_DEF RES_ID 41 RES_TYPE GLN PREV_TYPE GLN(38.9) CYS(35.4) GLU(15.1) TRP(6.1) SPIN_SYSTEM_ID 96 HETEROGENEITY 100 C:-1 172.6200 (A.96) HN 7.0800 (A.96 B.81 C.166 C.167 D.95 D.272 E.82 E.86 F.293 F.294 F.299) N 118.5200 (A.96 B.81 C.166 C.167 D.95 D.272 E.82 E.86 F.293 F.294 F.299) CA:-1 59.5700 (C.167 D.272 F.293) CB:-1 27.8600 (C.166) HA:-1 4.3900 CA 58.3600 (D.95 E.86 F.294) CB 29.0100 (E.82 F.299 G.11) CG 34.5900 (G.12) HA 4.3500 HB1|HB2 2.1730 (G.10) HG1|HG2 2.5400 (G.13) NE2 110.6900 HE21|HE22 6.8600 HE21|HE22 7.5800 END_RES_DEF RES_ID 42 RES_TYPE SER PREV_TYPE CYS(22.1) GLU(21.4) GLN(18.1) ARG(16.3) TRP(12.5) \ HIS(6.8) SPIN_SYSTEM_ID 135 HETEROGENEITY 100 C:-1 175.9800 (A.142) HN \ 8.1700 (A.142 B.36 C.241 C.242 D.224 D.40 E.25 E.26 F.433 F.434 F.435 F.436) N \ 111.8600 (A.142 B.36 C.241 C.242 D.224 D.40 E.25 E.26 F.433 F.434 F.435 F.436) CA:-1 58.3800 (C.242 D.224 F.433) CB:-1 28.9600 (C.241 F.436) HA:-1 4.3500 HB1|HB2:-1 2.1400 HG1|HG2:-1 2.5400 CA 60.2700 (D.40 E.26 F.434) CB 62.9100 (E.25 F.435 G.15) HA 4.2000 HB1|HB2 3.7900 (G.14) END_RES_DEF RES_ID 43 RES_TYPE PHE PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 116 HETEROGENEITY 100 C:-1 172.1800 (A.118) HN \ 7.5400 (A.118 B.62 C.207 C.210 C.211 D.71 E.47 E.49 E.220 F.554 F.372 F.374) N \ 116.2300 (A.118 B.62 C.207 C.210 C.211 D.71 E.47 E.49 E.220 F.554 F.372 F.374) CA:-1 60.2700 (C.207 C.211 F.554) CB:-1 62.9600 (C.210) HA:-1 4.2200 HB1|HB2:-1 3.7900 CA 55.8700 (D.71 E.49 F.372) CB 41.0700 (E.47 E.220 F.374 G.17) HA 5.0600 (-ZA.47) HB1|HB2 3.2400 (G.16) CE1|CE2 122.3800 HE1|HE2 8.2500 CD1|CD2 132.1400 HD1|HD2 7.1800 CZ 132.6600 (-ZA.47) HZ 7.1100 (-ZA.47) END_RES_DEF RES_ID 44 RES_TYPE ILE PREV_TYPE ASP(29.7) PHE(25.6) TYR(24.3) LEU(20.3) SPIN_SYSTEM_ID 61 HETEROGENEITY 100 C:-1 172.3500 (A.66) HN 7.6400 (A.66 B.54 C.103 C.105 D.125 F.211 F.220) N 120.4400 (A.66 B.54 C.103 C.105 D.125 F.211 F.220) CA:-1 55.9400 (C.103) CB:-1 41.1100 (C.105) HA:-1 5.0400 HB1|HB2:-1 3.2400 CA 60.2600 (D.125 F.211) CB 39.7400 (F.220) CG1 28.0600 CG2 16.1300 (G.19) CD1 13.3070 HA 5.2300 HB 1.9550 HG11|HG12 1.3900 HG2# 0.5900 (G.18 H.5) HD1# 0.5160 END_RES_DEF RES_ID 45 RES_TYPE SER PREV_TYPE ILE(40.4) PHE(30.9) TYR(26.8) SPIN_SYSTEM_ID 120 HETEROGENEITY 100 C:-1 166.2600 (A.121) HN 8.2900 (A.121 B.32 C.213 C.310 D.66 D.70 E.45 E.50 F.371 F.379 F.596) N 116.0400 (A.121 B.32 C.213 C.310 D.66 D.70 E.45 E.50 F.371 F.379 F.596) CA:-1 60.2200 (C.213 F.596) CB:-1 39.5900 (C.310) CA 56.8700 (D.66 D.70 E.50 F.371) CB 65.8600 (E.45 F.379 G.21) HA 4.7900 HB1|HB2 3.9600 (G.20) END_RES_DEF RES_ID 46 RES_TYPE TRP PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 25 HETEROGENEITY 100 C:-1 171.6800 (A.32) HN 8.3100 (A.32 B.153 C.45 C.47 D.179 E.175 F.129 F.136 F.131) N 123.5500 (A.32 B.153 C.45 C.47 D.179 E.175 F.129 F.136 F.131) CA:-1 57.0200 (C.47 D.179 E.175 F.136) CB:-1 65.8800 (C.45) HA:-1 4.7900 HB1|HB2:-1 3.9600 CA 56.8800 (F.129) CB 30.3600 (F.131 G.25) HA 5.4920 HB1|HB2 1.8060 (G.23) HB1|HB2 1.8700 (G.22) CD1 128.7800 (-ZA.49 -ZA.50 -ZF.441) HD1 7.4500 (-ZA.49 -ZA.50 -ZF.441) CZ2 114.8400 (-ZA.51) HZ2 7.0900 (-ZA.51 -ZA.61) HH2 6.9300 HE3 6.9700 HZ3 6.6906 NE1 128.3100 HE1 9.7800 END_RES_DEF RES_ID 47 RES_TYPE THR PREV_TYPE GLU(18.6) HIS(17.5) ARG(17.1) CYS(15.5) TRP(15.1) \ GLN(7.4) SPIN_SYSTEM_ID 131 HETEROGENEITY 100 C:-1 181.4500 (A.132) HN 8.8700 (A.132 B.15 C.233 C.293 D.229 D.48 F.415 F.558 F.598) N 113.6300 (A.132 B.15 C.233 C.293 D.229 D.48 F.415 F.558 F.598) CA:-1 56.8000 (C.233 D.229 F.598) CB:-1 30.2100 (C.293 F.558) CA 63.2000 (D.48 F.415) CB 69.0400 CG2 22.8900 (G.28) HA 4.4710 HB 4.5170 HG2# 1.2650 (G.27) END_RES_DEF RES_ID 48 RES_TYPE GLY PREV_TYPE THR(100.0) SPIN_SYSTEM_ID 136 HETEROGENEITY 100 C:-1 176.7100 (A.148) HN 9.1200 (A.148 B.12 C.243 C.312 D.36 F.445) N 110.9200 (A.148 B.12 C.243 C.312 D.36 F.445) CA:-1 63.1800 (C.243) CB:-1 69.0400 (C.312) HA:-1 4.4200 CA 45.1200 (D.36 F.445) HA1 4.5000 HA2 3.6900 END_RES_DEF RES_ID 49 RES_TYPE ASP SPIN_SYSTEM_ID 40 HETEROGENEITY 100 C:-1 169.4000 (A.48) HN 7.7000 (A.48 B.52 C.71 D.257 D.159 E.269 E.153 F.172 F.177 F.581) N 122.0800 (A.48 B.52 C.71 D.257 D.159 E.269 E.153 F.172 F.177 F.581) CA:-1 45.1100 (C.71 D.257 F.581) CA 52.2200 (D.159 E.153 F.172) CB 41.1400 (F.177 G.32) HA 4.8100 HB1|HB2 2.8100 (G.30) HB1|HB2 2.3900 (G.32) END_RES_DEF RES_ID 50 RES_TYPE GLY PREV_TYPE ASP(50.1) ASN(41.8) LEU(8.1) SPIN_SYSTEM_ID 133 HETEROGENEITY 100 C:-1 174.2800 (A.137) HN 8.3100 (A.137 B.31 C.238 C.239 D.225 D.43 E.209 E.210 F.429) N 112.5000 (A.137 B.31 C.238 C.239 D.225 D.43 E.209 E.210 F.429) CA:-1 52.1400 (C.238 D.225 E.210) CB:-1 41.0900 (C.239) CA 47.3300 (D.43 E.209 F.429) HA1 3.4500 HA2 3.6900 END_RES_DEF RES_ID 51 RES_TYPE TRP SPIN_SYSTEM_ID 5 HETEROGENEITY 100 C:-1 173.8100 (A.7) HN 9.1900 (A.7 B.11 C.8 D.266 D.210 D.267 F.497 F.496) N 128.1700 (A.7 B.11 C.8 D.266 D.210 D.267 F.497 F.496) CA:-1 47.2600 (C.8 D.210 D.267) CA 55.4600 (D.266 F.496) CB 28.9400 (F.497) HA 5.2100 HB1|HB2 2.5100 NE1 128.1200 HE1 9.8900 (-P.3 -P.4 -P.357 -ZA.56) CD1 128.9700 HD1 6.9940 (-P.3) CZ2 114.3100 (-ZA.56 -ZA.57 -U.725) HZ2 7.2480 (-P.4 -ZA.56 -ZA.57 -U.725 -U.136 -U.135) CH2 124.3700 (-ZA.58 -U.136 -U.135) HH2 6.9730 (-P.22 -R.72 -ZA.58 -U.725 -U.136 -U.135) CE3 117.7200 HE3 6.6700 HZ3 6.6450 END_RES_DEF RES_ID 52 RES_TYPE GLU PREV_TYPE GLN(26.9) HIH(18.5) CYS(16.6) GLU(14.7) ARG(10.4) \ HIS(8.2) SPIN_SYSTEM_ID 33 HETEROGENEITY 100 C:-1 174.7300 (A.40) HN 8.2300 (A.40 B.104 C.59 C.62 C.63 D.166 F.160 F.168) N 122.5800 (A.40 B.104 C.59 C.62 C.63 D.166 F.160 F.168) CA:-1 55.5600 (C.59 C.62) CB:-1 28.9200 (C.63) CA 56.7500 (D.166 F.160) CB 32.1700 (F.168) CG 32.9600 HA 4.3980 HB1|HB2 2.5010 (H.13) HG1|HG2 2.0400 END_RES_DEF RES_ID 53 RES_TYPE PHE PREV_TYPE LYS(25.4) MET(21.3) TRP(20.5) ARG(9.3) GLU(8.1) \ CYS(7.3) HIS(5.3) SPIN_SYSTEM_ID 13 HETEROGENEITY 100 C:-1 175.1600 (A.16) HN 10.0100 (A.16 B.1 C.262 C.21 D.194 F.78 F.79 F.499) N 126.0700 (A.16 B.1 C.262 C.21 D.194 F.78 F.79 F.499) CA:-1 56.7500 (C.21 D.194) CB:-1 32.3000 (C.262) CA 56.4200 (F.78) CB 43.8000 (F.79 F.499) HA 5.8600 HB1|HB2 3.1890 (G.35) HB1|HB2 3.1470 CD1|CD2 137.3800 HD1|HD2 8.2800 CE1|CE2 132.5000 (-ZA.59 -ZA.61 -ZF.444) HE1|HE2 7.7260 (-ZA.59 -ZA.61 -ZF.444) CZ 131.5000 HZ 7.1900 END_RES_DEF RES_ID 54 RES_TYPE LYS PREV_TYPE LEU(40.2) PHE(27.8) TYR(25.2) ASP(6.8) SPIN_SYSTEM_ID 89 HETEROGENEITY 100 C:-1 164.5500 (A.89) HN 9.3200 (A.89 B.8 C.154 C.155 D.251 D.104 E.303 F.271 F.278) N 119.0800 (A.89 B.8 C.154 C.155 D.251 D.104 E.303 F.271 F.278) CA:-1 56.4900 (C.154 D.251) CB:-1 43.8900 (C.155) CA 54.0500 (D.104 E.303 F.271) CB 37.4000 (F.278) HA 5.1700 HB1|HB2 1.9060 HB1|HB2 1.5400 HD1|HD2 1.2400 HE1|HE2 3.0000 END_RES_DEF RES_ID 55 RES_TYPE LEU PREV_TYPE ASN(63.4) MET(14.4) LYS(13.1) ASP(6.0) SPIN_SYSTEM_ID 14 HETEROGENEITY 100 C:-1 174.6500 (A.17) HN 8.4100 (A.17 B.26 C.22 C.23 D.195 F.498) N 126.1000 (A.17 B.26 C.22 C.23 D.195 F.498) CA:-1 54.0400 (C.22 D.195 F.498) CB:-1 37.6600 (C.23 F.576) CA 54.1000 (F.498) CB 40.2900 (F.627) CG 26.2500 HA 4.8700 HB1|HB2 1.2290 HG 1.1580 CD1|CD2 20.3000 HD1#|HD2# 1.3000 (H.20 -ZA.11 -ZF.23 -ZF.293) CD1|CD2 27.0000 HD1#|HD2# 1.1700 (H.21) END_RES_DEF RES_ID 56 RES_TYPE SER PREV_TYPE ASP(60.7) LEU(13.7) ASN(11.9) PHE(7.0) TYR(6.7) SPIN_SYSTEM_ID 94 HETEROGENEITY 100 C:-1 169.9600 (A.94) HN 7.2700 (A.94 B.74 C.164 C.165 D.98 D.250 F.288 F.289) N 118.7200 (A.94 B.74 C.164 C.165 D.98 D.250 F.288 F.289) CA:-1 54.1000 (C.165 D.250) CB:-1 40.2900 (C.164 F.630) CA 61.1600 (D.98 F.288) CB 62.7900 (F.629) HA 4.1800 (-ZA.73) HB1|HB2 3.7800 (G.36) HB1|HB2 3.2500 END_RES_DEF RES_ID 57 RES_TYPE ASP PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 111 HETEROGENEITY 100 C:-1 174.2100 (A.111) HN 8.1000 (A.111 B.107 C.198 C.199 D.273 F.347 F.604 F.351 -ZA.68) N 117.2600 (A.111 B.107 C.198 C.199 D.273 F.347 F.604 F.351) CA:-1 61.2200 (C.198 F.631) CB:-1 63.0100 (C.199 F.604) HA:-1 4.1900 HB1|HB2:-1 3.7800 CA 50.9400 (D.273 F.351) CB 41.8900 (F.347) HA 5.0600 (-ZF.329) HB1|HB2 2.6500 END_RES_DEF RES_ID 58 RES_TYPE PRO SPIN_SYSTEM_ID 204 HETEROGENEITY 100 CA 65.2300 (C.208 D.239 F.364 F.369 -ZF.335) CB 32.0600 (C.206) CG 24.9260 CD 50.5800 (-ZD.26 -ZF.329 -ZF.330 -ZF.331 -ZF.332 -ZF.333 -ZF.334) HA 3.8200 (-ZF.335) HB1|HB2 1.3500 (G.37 -ZF.333) HG1|HG2 0.9990 (-ZF.332) HD1|HD2 3.5860 (-ZF.330) HD1|HD2 3.0660 (-ZD.26 -ZF.329 -ZF.330 -ZF.331 -ZF.332 -ZF.333 -ZF.334) END_RES_DEF RES_ID 59 RES_TYPE ASP PREV_TYPE PRO(100.0) SPIN_SYSTEM_ID 117 HETEROGENEITY 100 C:-1 179.2800 (A.119) HN \ 7.8000 (A.119 B.113 C.206 C.208 D.239 D.72 E.51 E.52 F.364 F.366 F.368 F.369) N \ 116.3300 (A.119 B.113 C.206 C.208 D.239 D.72 E.51 E.52 F.364 F.366 F.368 F.369) CA:-1 65.2300 (C.208 D.239 F.364 F.369) CB:-1 32.0600 (C.206) HA:-1 3.8200 HB1|HB2:-1 1.3500 CA 57.2500 (D.72 E.52 F.366) CB 40.8100 (E.51 F.368) HA 4.5300 HB1|HB2 2.8840 (G.38) HB1|HB2 2.7590 (G.39) END_RES_DEF RES_ID 60 RES_TYPE GLU SPIN_SYSTEM_ID 42 HETEROGENEITY 100 C:-1 180.2100 (A.50) HN 7.5800 (A.50 B.59 C.74 C.75 D.155 D.255 E.266 E.268 F.181 F.182 F.185) N 121.9300 (A.50 B.59 C.74 C.75 D.155 D.255 E.266 E.268 F.181 F.182 F.185) CA:-1 57.3000 (C.75 D.255) CB:-1 40.7000 (C.74 F.182) HA:-1 4.5200 HB1|HB2:-1 2.8500 CA 58.2200 (D.155 E.266 F.181) CB 28.9500 (E.268 F.185) HA 4.0100 HB1|HB2 1.8030 END_RES_DEF RES_ID 61 RES_TYPE VAL PREV_TYPE CYS(23.0) GLU(20.5) GLN(19.4) ARG(14.9) TRP(11.9) \ HIS(6.8) SPIN_SYSTEM_ID 107 HETEROGENEITY 100 C:-1 180.7900 (A.107) HN 7.6400 (A.107 B.55 C.189 C.308 D.244 D.80 D.246 F.333) N 117.5800 (A.107 B.55 C.189 C.308 D.244 D.80 D.246 F.333) CA:-1 58.2600 (C.189 D.244 D.246) CB:-1 28.8800 (C.308) HA:-1 4.0100 CA 67.8800 (D.80 F.333) CB 31.8300 (F.5722) CG2 24.3100 (G.44) HG2# 1.2260 (G.42 H.23) CG1 21.6500 (G.45) HG1# 0.9690 (G.43 H.24 -ZF.332 -ZF.438) HA 3.3800 HB 2.2120 (H.22 -ZF.335) END_RES_DEF RES_ID 62 RES_TYPE ALA PREV_TYPE VAL(100.0) SPIN_SYSTEM_ID 87 HETEROGENEITY 100 C:-1 178.2000 (A.87) HN 8.3200 (A.87 B.159 C.144 C.156 D.105 F.275 F.544) N 119.1900 (A.87 B.159 C.144 C.156 D.105 F.275 F.544) CA:-1 67.9900 (C.156) CB:-1 31.5200 (C.144) CA 55.4500 (D.105 F.275 F.544) CB 18.0800 (F.5692) HA 4.1200 HB# 1.4420 (G.46 -ZF.91) END_RES_DEF RES_ID 63 RES_TYPE ARG SPIN_SYSTEM_ID 90 HETEROGENEITY 100 C:-1 180.9500 (A.90) HN 8.4800 (A.90 B.110 C.159 C.160 D.102 E.90 E.91 E.92 F.279) N 118.8900 (A.90 B.110 C.159 C.160 D.102 E.90 E.91 E.92 F.279) CA:-1 55.4800 (C.160 D.102 E.92 F.279) CB:-1 18.0000 (C.159) HA:-1 4.1200 HB:-1 1.3900 CA 59.6970 (F.282) CB 30.8390 (F.286) CG 28.6600 CD 37.0300 HA 4.0600 HB1|HB2 2.0200 HB1|HB2 1.8300 HG1|HG2 1.8500 HD1|HD2 2.2240 END_RES_DEF RES_ID 64 RES_TYPE ARG PREV_TYPE LYS(49.1) VAL(22.7) MET(22.0) TRP(6.2) SPIN_SYSTEM_ID 16 HETEROGENEITY 100 C:-1 181.1600 (A.19) HN 8.8900 (A.19 B.94 C.25 C.26 D.191 F.86 F.500) N 125.7200 (A.19 B.94 C.25 C.26 D.191 F.86 F.500) CA:-1 59.6700 (C.25) CA 60.4600 (D.191 F.86) HA 4.8600 END_RES_DEF RES_ID 65 RES_TYPE TRP SPIN_SYSTEM_ID 18 HETEROGENEITY 100 C:-1 181.2600 (A.22) HN 8.6900 (A.22 B.20 C.33 D.187 E.181) N 125.0600 (A.22 B.20 C.33 D.187 E.181) CA:-1 60.1100 (C.33) CA 58.3000 (D.187 F.577) CD1 126.2000 (-ZF.224 -ZF.226 -ZF.227) CZ2 114.8400 (-ZA.67 -ZF.317 -ZF.318 -ZF.319) NE1 133.7300 HA 4.0600 HB1|HB2 3.0600 HB1|HB2 3.2100 HD1 7.0700 (-ZF.224 -ZF.226 -ZF.227) HZ2 7.2100 (-ZA.67 -R.100 -ZF.98 -ZF.317 -ZF.318 -ZF.319) CZ3 120.3000 (-ZA.21) HZ3 7.3130 (-ZA.21) CE3 119.8000 HE3 7.1100 (-P.349 -P.242) CH2 123.8100 (-ZF.325 -ZF.326) HH2 7.0900 (-ZA.37 -ZF.325 -ZF.326 -ZF.436) HE1 11.6400 END_RES_DEF RES_ID 66 RES_TYPE GLY SPIN_SYSTEM_ID 2 HETEROGENEITY 100 C:-1 177.7000 (A.2) HN 8.6900 (A.2 B.123 C.3 D.212 F.11) N 131.3600 (A.2 B.123 C.3 D.212 F.11) CA:-1 58.3400 (C.3) CA 47.5900 (D.212 F.11) HA1 3.7100 (G.47 -ZA.13) HA2 3.8700 (G.47) END_RES_DEF RES_ID 67 RES_TYPE LYS SPIN_SYSTEM_ID 52 HETEROGENEITY 100 C:-1 177.9700 (A.59) HN 7.8500 (A.59 B.155 C.277 D.140 D.141 E.256 E.259 F.521) N 121.0600 (A.59 B.155 C.277 D.140 D.141 E.256 E.259 F.521) CA:-1 47.5000 (C.277 D.140) CA 58.7400 (D.141 E.259 F.521) CB 32.4200 (E.256 G.71) CG 25.1800 (G.73) CD 29.0600 (H.30) CE 41.9000 (H.65) HA 4.0300 HB1|HB2 1.9500 (G.4 H.26) HD1|HD2 1.7190 (H.27) HG1|HG2 1.5410 (H.28) HG1|HG2 1.5100 (H.29) HE1|HE2 3.0070 (H.25) END_RES_DEF RES_ID 68 RES_TYPE ARG PREV_TYPE LYS(38.5) MET(34.7) TRP(10.4) SPIN_SYSTEM_ID 80 HETEROGENEITY 100 C:-1 181.6800 (A.80) HN 7.5100 (A.80 B.63 C.134 C.136 D.116 F.249 F.256 F.260) N 119.6400 (A.80 B.63 C.134 C.136 D.116 F.249 F.256 F.260) CA:-1 58.8700 (C.136) CB:-1 32.2900 (C.134) HA:-1 4.0400 HB1|HB2:-1 1.9500 HB1|HB2:-1 1.7000 CA 56.4400 (D.116 F.249 F.256) CB 29.5800 (F.638) HA 4.0700 HB1|HB2 1.7400 (G.48) HB1|HB2 1.8900 HG1|HG2 1.6130 END_RES_DEF RES_ID 69 RES_TYPE LYS PREV_TYPE CYS(21.7) GLN(17.5) GLU(17.5) ARG(11.6) HIS(10.9) \ HIH(10.2) TRP(8.1) SPIN_SYSTEM_ID 127 HETEROGENEITY 100 C:-1 178.0800 (A.128) HN 6.9800 (A.128 B.83 C.226 D.54 E.293 E.294 F.401 F.556 F.399 F.597) N 114.8400 (A.128 B.83 C.226 D.54 E.293 E.294 F.401 F.556 F.399 F.597) CA:-1 56.5300 (C.226) HA:-1 4.0600 CA 52.9100 (D.54 E.293 F.401) CB 28.8900 (F.637) CG 23.3300 (-ZF.315) CD 28.5300 (-ZF.312 -ZF.313 -ZF.314) CE 42.5300 (-ZF.217 -ZF.311 -ZF.219) HA 3.9400 (-ZF.224) HB1|HB2 1.4400 HG1|HG2 1.1500 (-ZA.41 -ZF.315) HD1|HD2 1.6420 (-ZF.312 -ZF.313 -ZF.314) HE1|HE2 2.8060 (-ZF.217 -ZF.311 -ZF.219) END_RES_DEF RES_ID 70 RES_TYPE ASN PREV_TYPE HIH(66.6) HIS(11.1) GLN(10.1) SPIN_SYSTEM_ID 110 HETEROGENEITY 100 C:-1 174.7200 (A.110) HN 7.4900 (A.110 B.64 C.195 C.196 D.242 D.79 E.58 F.343 F.345 F.348 F.593) N 117.2900 (A.110 B.64 C.195 C.196 D.242 D.79 E.58 F.343 F.345 F.348 F.593) CA:-1 52.8800 (C.196 D.242 F.593) CB:-1 28.8900 (C.195 F.345) CA 54.3200 (D.79 E.58 F.343) CB 36.9800 (F.348) HA 4.2620 HB1|HB2 3.1620 (G.49) HB1|HB2 2.7000 (G.50) ND2 112.2000 HD21|HD22 7.5800 HD21|HD22 6.6700 END_RES_DEF RES_ID 71 RES_TYPE LYS PREV_TYPE ASN(53.0) LYS(24.5) MET(19.3) SPIN_SYSTEM_ID 106 HETEROGENEITY 100 C:-1 171.0800 (A.106) HN 8.8100 (A.106 B.17 C.184 C.185 D.84 E.66 F.323 F.324 F.329 F.330) N 117.7100 (A.106 B.17 C.184 C.185 D.84 E.66 F.323 F.324 F.329 F.330) CA:-1 54.3600 (C.184 F.323) CB:-1 36.9500 (C.185 F.329) HB1|HB2:-1 3.1500 HB1|HB2:-1 2.6500 CA 51.5600 (D.84 E.66 F.324) CB 32.3100 (F.330) CE 42.0100 HA 4.7900 (-U.190) HB1|HB2 1.5300 HG1|HG2 1.0900 HE1|HE2 3.0230 END_RES_DEF RES_ID 72 RES_TYPE PRO SPIN_SYSTEM_ID 205 HETEROGENEITY 100 CA 64.2000 (C.200 D.241 F.349) CB 32.4400 (C.202 -ZF.245 -ZF.246) CG 27.0700 (-ZF.309) CD 50.7600 (-U.190) HA 4.3200 (-ZF.245) HB1|HB2 1.9800 HB1|HB2 2.3110 (-ZF.245 -ZF.246) HG1|HG2 1.8340 (-ZF.309) HG1|HG2 1.8700 HD1|HD2 3.4400 (-ZF.246) HD1|HD2 3.7340 (-U.190) END_RES_DEF RES_ID 73 RES_TYPE LYS PREV_TYPE PRO(100.0) SPIN_SYSTEM_ID 114 HETEROGENEITY 100 C:-1 179.5000 (A.114) HN 8.4700 (A.114 B.23 C.200 C.202 D.241 D.76 E.224 E.56 F.349 F.353 F.356) N 117.0900 (A.114 B.23 C.200 C.202 D.241 D.76 E.224 E.56 F.349 F.353 F.356) CA:-1 64.2000 (C.200 D.241 F.349) CB:-1 32.4400 (C.202) HA:-1 4.3200 CA 54.9000 (D.76 E.56 F.353) CB 30.8600 (E.224 F.356) CD 28.8800 (H.37) HA 4.5800 (-ZF.309) HB1|HB2 2.0700 HB1|HB2 2.2600 HG1|HG2 1.4100 (-ZF.285) HD1|HD2 1.7200 (H.34) HE1|HE2 3.0200 (H.32) END_RES_DEF RES_ID 74 RES_TYPE MET PREV_TYPE HIS(19.7) ARG(17.2) GLU(16.0) GLN(14.4) CYS(13.8) \ MET(6.6) TRP(5.6) SPIN_SYSTEM_ID 21 HETEROGENEITY 100 C:-1 179.0700 (A.26) HN 7.9500 (A.26 B.46 C.36 C.37 D.184 F.120 F.123) N 124.0500 (A.26 B.46 C.36 C.37 D.184 F.120 F.123) CA:-1 54.9100 (C.37) CB:-1 30.9300 (C.36) CD:-1 28.8800 HA:-1 4.5700 H*1|2:-1 2.0700 H*1|2:-1 1.4100 H*1|2:-1 1.6800 CA 55.8600 (D.184 F.120) CB 29.1200 (F.123) CG 32.0300 CE 17.1800 HA 4.3300 HB1|HB2 3.0500 HE# 2.0300 END_RES_DEF RES_ID 75 RES_TYPE ASN PREV_TYPE GLN(22.2) CYS(19.0) GLU(17.0) HIH(12.5) ARG(11.9) \ HIS(9.7) TRP(5.0) SPIN_SYSTEM_ID 56 HETEROGENEITY 100 C:-1 170.1000 (A.180) HN 7.9600 (A.180 C.97 C.304 D.136 F.524 F.523) N 120.8900 (A.180 C.97 C.304 D.136 F.524 F.523) CA:-1 55.9200 (C.97) CB:-1 29.2200 (C.304) CA 52.0800 (D.136 F.523) CB 40.0200 (F.524) HA 4.8000 (-U.190) HB1|HB2 3.0700 HB1|HB2 2.8600 (G.29) ND2 113.4300 HD21|HD22 7.6300 HD21|HD22 6.9200 END_RES_DEF RES_ID 76 RES_TYPE TYR PREV_TYPE ASN(74.4) ASP(25.6) SPIN_SYSTEM_ID 50 HETEROGENEITY 100 C:-1 173.6900 (A.56) HN 9.7900 (A.56 B.6 C.86 C.88 D.142 F.195 F.520 F.519 F.198) N 121.2800 (A.56 B.6 C.86 C.88 D.142 F.195 F.520 F.519 F.198) CA:-1 52.1000 (C.88 F.198) CB:-1 39.9500 (C.86 F.519) CA 61.8900 (D.142 F.195) CB 37.7300 (F.520) HA 4.3600 (-ZA.28 -ZF.101 -ZF.290) HB1|HB2 3.1660 (-ZF.24) HB1|HB2 3.0340 (-ZF.292) CD1|CD2 \ 133.6500 (-ZA.23 -ZA.27 -ZA.28 -ZF.290 -ZF.291 -ZF.292 -ZF.293 -ZF.294) CE1|CE2 118.0700 (-ZA.13 -ZA.11 -U.169 -ZF.26 -ZF.24 -ZF.23 -ZF.22) HD1|HD2 \ 7.2200 (-ZA.23 -ZA.27 -ZA.28 -ZF.290 -ZF.291 -ZF.292 -ZF.293 -ZF.294) HE1|HE2 7.0100 (-ZA.13 -ZA.11 -U.169 -ZF.97 -ZF.26 -ZF.24 -ZF.23 -ZF.22) END_RES_DEF RES_ID 77 RES_TYPE GLU PREV_TYPE ILE(42.4) TYR(30.1) PHE(24.5) SPIN_SYSTEM_ID 35 HETEROGENEITY 100 C:-1 176.3300 (A.43) HN 8.8500 (A.43 B.16 C.66 C.67 D.160 D.161 E.155 E.273 F.163 F.165 F.169) N 122.3200 (A.43 B.16 C.66 C.67 D.160 D.161 E.155 E.273 F.163 F.165 F.169) CA:-1 61.9100 (C.67 D.160 F.163) CB:-1 37.8100 (C.66) CA 60.5400 (D.161 E.273 F.165) CB 28.8100 (E.155 F.169) CG 36.8200 (H.38 -ZF.284 -ZF.285) HA 3.7900 (-ZF.284 -ZF.291) HB1|HB2 2.2390 (G.54 H.10) HB1|HB2 2.1400 (G.55) HG1|HG2 2.4100 (H.9 -ZF.284 -ZF.285) END_RES_DEF RES_ID 78 RES_TYPE LYS PREV_TYPE TRP(30.9) CYS(24.7) GLU(21.7) ARG(13.4) GLN(7.0) SPIN_SYSTEM_ID 86 HETEROGENEITY 100 C:-1 183.9800 (A.86) HN 8.4900 (A.86 C.157 C.162 D.99) N 119.1000 (A.86 C.157 C.162 D.99) CA:-1 60.6300 (C.157) CB:-1 29.1500 (C.162) CG:-1 36.8200 HA:-1 3.7900 HG1|HG2:-1 2.4100 CA 59.6900 (D.99 F.282) CB 30.8400 (F.286) CG 27.3400 CD 31.9800 CE 43.5100 (-ZF.108) HA 4.0600 (-ZF.108) HB1|HB2 2.0390 (G.57) HB1|HB2 1.8380 (G.56 H.39) HG1|HG2 1.6720 (-ZF.227) HG1|HG2 1.6270 HD1|HD2 1.6190 (G.58) HE1|HE2 3.2250 (H.40 -ZF.108) END_RES_DEF RES_ID 79 RES_TYPE LEU PREV_TYPE TRP(28.9) ARG(21.4) LYS(17.5) GLU(13.6) MET(7.2) SPIN_SYSTEM_ID 83 HETEROGENEITY 100 C:-1 184.4100 (A.83) HN 8.2000 (A.83 B.115 C.145 C.146 D.106 F.542) N 119.3900 (A.83 B.115 C.145 C.146 D.106 F.542) CA:-1 59.8000 (C.146 D.106 F.542) CB:-1 30.8200 (C.145) HA:-1 4.0500 CG 27.0500 HA 3.9600 (-ZF.85 -ZF.100) HB1|HB2 2.2230 HG 1.6010 CD1|CD2 \ 25.7000 (-U.448 -U.721 -ZF.96 -ZF.104 -ZF.98 -ZF.97 -ZF.101 -ZF.100 -ZF.99 -ZF.281 -ZF.103 -ZF.102) HD1#|HD2# \ 0.7460 (-ZA.23 -ZA.27 -U.448 -U.721 -ZF.96 -ZF.104 -ZF.98 -ZF.97 -ZF.101 -ZF.100 -ZF.99 -ZF.281 -ZF.103 -ZF.102 -ZF.294 -ZF.226) CD1|CD2 28.7100 (-U.85 -U.440 -ZF.82 -ZF.85 -ZF.91) HD1#|HD2# 0.8600 (-U.85 -U.440 -ZF.82 -ZF.85 -ZF.91 -ZF.326) END_RES_DEF RES_ID 80 RES_TYPE SER SPIN_SYSTEM_ID 375 HETEROGENEITY 100 CA 61.2870 CB 62.7900 HA 4.2200 HB1|HB2 3.7900 END_RES_DEF RES_ID 81 RES_TYPE ARG SPIN_SYSTEM_ID 19 HETEROGENEITY 100 C:-1 175.1000 (A.24) HN 7.0400 (A.24 B.82 C.302 D.185 F.114) N 124.2800 (A.24 B.82 C.302 D.185 F.114) CA:-1 61.2900 (C.302) CA 57.5600 (D.185 F.114) CB 30.1300 (-ZC.4 -ZD.22) CD 36.3000 HA 4.1870 HB1|HB2 2.0580 (G.59) HB1|HB2 2.0220 (G.60 H.47 -ZC.4 -ZD.22) HG1|HG2 1.7780 HD1|HD2 2.2980 END_RES_DEF RES_ID 82 RES_TYPE GLY SPIN_SYSTEM_ID 168 HETEROGENEITY 100 C:-1 181.8200 (A.172) HN 7.5000 (A.172 B.65 C.257 D.14 F.485) N 107.4000 (A.172 B.65 C.257 D.14 F.485) CA:-1 57.6200 (C.257) CA 46.7500 (D.14 F.485) HA1 3.7900 HA2 3.5900 (-ZF.99 -ZF.317) END_RES_DEF RES_ID 83 RES_TYPE LEU SPIN_SYSTEM_ID 97 HETEROGENEITY 100 C:-1 173.2500 (A.97) HN 7.1700 (A.97 B.79 C.172 F.610) N 118.2500 (A.97 B.79 C.172 F.610) CA:-1 46.7900 (C.172) CA 57.8100 (F.610) CB 40.2300 CG 26.1700 (-ZF.76) HA 3.9780 (-ZA.63 -ZF.377) HB1|HB2 1.7100 (-ZA.64) HG 1.5600 (-ZF.60 -ZF.76) CD1 23.7610 (-U.240 -ZF.55 -ZF.60 -ZF.61 -ZF.62 -ZF.63) HD1# \ 0.0300 (-U.721 -U.240 -ZF.55 -ZF.60 -ZF.61 -ZF.62 -ZF.63 -ZF.65 -ZF.76 -ZF.103 -ZF.22 -ZF.380) CD2 23.8500 (-U.750 -U.117 -ZF.64 -ZF.65) HD2# 0.7100 (-U.750 -U.117 -ZF.63 -ZF.64 -ZF.65 -ZF.432) END_RES_DEF RES_ID 84 RES_TYPE ARG PREV_TYPE PHE(30.5) TYR(28.3) ASP(26.0) LEU(8.8) ILE(6.4) SPIN_SYSTEM_ID 118 HETEROGENEITY 100 C:-1 179.7000 (A.188) HN 7.7900 (A.188 C.209 C.215 D.64 F.376) N 116.0700 (A.188 C.209 C.215 D.64 F.376) CA:-1 57.7600 (C.215) CB:-1 40.2300 (C.209) CA 58.9900 (D.64 F.376) CB 31.9100 (H.58) CG 24.7400 (H.59) CD 42.4400 (H.60) HA 4.1620 (-ZA.25) HB1|HB2 1.9800 (G.3 H.54) HB1|HB2 1.8100 (H.56) HG1|HG2 1.6400 (H.55) HD1|HD2 3.1210 (H.53) NE 83.6100 HE 7.5600 END_RES_DEF RES_ID 85 RES_TYPE TYR SPIN_SYSTEM_ID 79 HETEROGENEITY 100 C:-1 184.3700 (A.79) HN 7.2900 (A.79 B.72 C.131 D.112 E.106 F.245 F.253 F.587) N 119.6900 (A.79 B.72 C.131 D.112 E.106 F.245 F.253 F.587) CA:-1 59.0500 (C.131 F.587) CA 61.1000 (D.112 E.106 F.245) CB 38.1200 (F.253) CD1|CD2 133.1100 (-ZF.39 -ZF.40) CE1|CE2 118.4500 (-ZD.164) HA 4.6000 (-ZF.40 -ZF.392) HB1|HB2 3.2700 HB1|HB2 2.7800 (-ZF.39) HD1|HD2 7.0820 (-ZF.39 -ZF.40) HE1|HE2 7.0340 (-ZD.164) END_RES_DEF RES_ID 86 RES_TYPE TYR PREV_TYPE ILE(36.1) TYR(31.9) PHE(28.9) SPIN_SYSTEM_ID 125 HETEROGENEITY 100 C:-1 177.7600 (A.126) HN 7.6300 (A.126 B.56 C.292 C.225 D.56 D.57 E.215 E.35 F.391 F.393 F.395) N 115.1400 (A.126 B.56 C.292 C.225 D.56 D.57 E.215 E.35 F.391 F.393 F.395) CA:-1 61.1200 (C.225 D.56 F.391) CB:-1 38.0300 (C.292) CA 56.4100 (D.57 E.35 F.393) CB 38.3300 (F.395) HA 4.7900 (-ZF.364 -ZF.376) HB1|HB2 3.9400 CD1|CD2 131.5600 (-ZA.63 -ZA.64 -ZA.65) CE1|CE2 118.7400 (-ZA.3 -ZA.6 -ZA.7 -ZA.9 -ZA.69 -U.156 -U.155 -ZA.8) HD1|HD2 7.1495 (-ZA.63 -ZA.64 -ZA.65 -U.703 -ZF.357 -ZF.361) HE1|HE2 \ 6.9900 (-ZA.3 -ZA.6 -ZA.7 -ZA.9 -ZA.69 -U.117 -U.240 -U.156 -U.155 -ZA.8 -ZF.362) HH \ 12.3300 (-P.178 -P.41 -P.40 -P.38 -P.242 -P.35 -P.34 -P.284 -P.286 -ZA.3 -ZA.1) END_RES_DEF RES_ID 87 RES_TYPE TYR PREV_TYPE ASN(40.0) TYR(27.1) PHE(26.0) ASP(6.9) SPIN_SYSTEM_ID 49 HETEROGENEITY 100 C:-1 180.9400 (A.179) HN 7.8400 (A.179 B.156 C.84 C.87 D.143 F.197) N 121.3400 (A.179 B.156 C.84 C.87 D.143 F.197) CA:-1 56.5200 (C.84) CB:-1 38.2200 (C.87) CA 58.4300 (D.143) CB 35.5200 (F.197) HA 5.2100 (-ZF.338 -ZF.350) HB1|HB2 3.5600 (-ZF.356 -ZF.386) CD1|CD2 133.6000 (-ZA.25 -ZF.338 -ZF.340) CE1|CE2 121.3400 HD1|HD2 7.0360 (-ZA.25 -ZF.338 -ZF.340) HE1|HE2 7.7700 END_RES_DEF RES_ID 88 RES_TYPE ASP PREV_TYPE VAL(46.3) LYS(20.5) TYR(18.2) PHE(15.0) SPIN_SYSTEM_ID 99 HETEROGENEITY 100 C:-1 183.4100 (A.99) HN \ 8.8900 (A.99 B.14 C.287 C.174 D.248 D.89 E.78 E.80 F.308 F.309 F.311 F.313) N \ 118.1700 (A.99 B.14 C.287 C.174 D.248 D.89 E.78 E.80 F.308 F.309 F.311 F.313) CA:-1 58.4800 (C.174 D.248 F.308) CB:-1 35.4500 (C.287 F.311) CA 55.7200 (D.89 E.80 F.309) CB 40.3700 (E.78 F.313) HA 4.7600 HB1|HB2 3.0100 (G.64) HB1|HB2 2.8500 (G.65) END_RES_DEF RES_ID 89 RES_TYPE LYS PREV_TYPE ASP(36.6) PHE(25.2) TYR(24.4) LEU(11.5) SPIN_SYSTEM_ID 124 HETEROGENEITY 100 C:-1 177.6100 (A.125) HN 7.1000 (A.125 B.80 C.223 C.224 D.58 E.37 F.388 F.389 F.390) N 115.3500 (A.125 B.80 C.223 C.224 D.58 E.37 F.388 F.389 F.390) CA:-1 55.8400 (C.223 D.58 E.37 F.388) CB:-1 40.2900 (C.224 F.389) HA:-1 4.7900 HB1|HB2:-1 3.0100 HB1|HB2:-1 2.8500 CA 55.8900 (F.388) CB 34.0800 (F.390) HA 4.4600 HB1|HB2 1.7700 HB1|HB2 2.1700 HD1|HD2 1.4330 END_RES_DEF RES_ID 90 RES_TYPE ASN PREV_TYPE LYS(32.1) MET(22.8) TRP(17.4) ARG(9.1) GLU(7.3) \ CYS(6.1) SPIN_SYSTEM_ID 128 HETEROGENEITY 100 C:-1 174.4700 (A.129) HN 8.2300 (A.129 B.35 C.229 C.230 D.231 D.52 E.213 F.408 F.410) N 114.3600 (A.129 B.35 C.229 C.230 D.231 D.52 E.213 F.408 F.410) CA:-1 55.8900 (C.230 D.231) CB:-1 33.9400 (C.229) HA:-1 4.4700 CA 54.6200 (D.52 E.213 F.408 -ZF.347 -ZF.348) CB 37.4800 (F.410 -ZF.342 -ZF.344 -ZF.345 -ZF.346) HA 4.1400 (-ZF.347 -ZF.348) HB1|HB2 3.0700 (G.67 -ZF.345 -ZF.346) HB1|HB2 2.8500 (G.66 -ZF.342 -ZF.344) END_RES_DEF RES_ID 91 RES_TYPE ILE PREV_TYPE ASN(60.1) LYS(17.3) MET(10.0) SPIN_SYSTEM_ID 132 HETEROGENEITY 100 C:-1 169.0500 (A.133) HN 7.2200 (A.133 B.75 C.234 C.235 D.226 D.46 F.420 F.561 F.426) N 113.0700 (A.133 B.75 C.234 C.235 D.226 D.46 F.420 F.561 F.426) CA:-1 54.7700 (C.234) CB:-1 37.3700 (C.235 F.426) HA:-1 4.1000 HB1|HB2:-1 3.0700 CA 62.8800 (D.226 D.46 F.420) CB 41.1300 (F.561) CG1 28.1700 CG2 \ 15.4200 (-ZF.359 -ZF.360 -ZF.361 -ZF.362 -ZF.363 -ZF.364 -ZF.365 -ZF.366 -ZF.367 -ZF.369 -ZF.370) CD1 \ 15.3500 (-ZF.349 -ZF.350 -ZF.353 -ZF.352 -ZF.354 -ZF.355 -ZF.356 -ZF.357) HA 4.1040 (-ZF.365) HB 1.1600 (-ZF.354 -ZF.369) HG11|HG12 1.8040 (-ZF.355) HG2# \ 0.0600 (-P.261 -P.284 -ZF.359 -ZF.360 -ZF.361 -ZF.362 -ZF.363 -ZF.364 -ZF.365 -ZF.366 -ZF.367 -ZF.369 -ZF.370) HD1# \ 0.7300 (-P.369 -ZF.342 -ZF.345 -ZF.348 -ZF.349 -ZF.350 -ZF.353 -ZF.352 -ZF.354 -ZF.355 -ZF.356 -ZF.357 -ZF.388) END_RES_DEF RES_ID 92 RES_TYPE ILE SPIN_SYSTEM_ID 88 HETEROGENEITY 100 C:-1 174.1100 (A.88) HN 6.7300 (A.88 B.90 C.153 D.103 E.301 E.302 F.270 F.277 F.588) N 119.1000 (A.88 B.90 C.153 D.103 E.301 E.302 F.270 F.277 F.588) CA:-1 62.9500 (C.153 E.302 F.588) HA:-1 4.1600 CA 58.9100 (D.103 E.301 F.270) CB 45.1000 (F.277 -U.703) CG2 \ 19.1800 (H.62 -ZF.373 -ZF.374 -ZF.375 -ZF.376 -ZF.377 -ZF.378 -ZF.380 -ZF.381 -ZF.382) CG1 27.0300 CD1 12.5600 HA 5.1300 (-ZA.72 -ZF.363 -ZF.375) HB 1.6920 (-U.703 -ZF.382) HG11|HG12 1.5100 HG2# \ 1.1500 (-P.281 -ZA.67 -R.100 -ZF.369 -ZF.373 -ZF.374 -ZF.375 -ZF.376 -ZF.377 -ZF.378 -ZF.380 -ZF.381 -ZF.382 -ZF.433) HD1# 0.8700 END_RES_DEF RES_ID 93 RES_TYPE HIS SPIN_SYSTEM_ID 71 HETEROGENEITY 100 C:-1 170.9700 (A.74) HN 9.0400 (A.74 B.13 C.283 C.120 D.120 E.296 F.232 F.237 F.244) N 120.0200 (A.74 B.13 C.283 C.120 D.120 E.296 F.232 F.237 F.244) CA:-1 58.8800 (C.283) CB:-1 45.1700 (C.120) CA 52.9700 (D.120 F.232) CB 34.1200 (E.296 F.237 F.244) CD2 \ 117.6500 (-ZA.71 -ZA.72 -ZF.384 -ZF.385 -ZF.386 -ZF.387 -ZF.388 -ZF.389) CE1 137.6300 HA 4.9700 (-ZF.385) HB1|HB2 2.7700 (-ZF.387) HB1|HB2 3.1700 HE1 8.2000 HD2 7.4000 (-ZA.71 -ZA.72 -ZF.384 -ZF.385 -ZF.386 -ZF.387 -ZF.388 -ZF.389) END_RES_DEF RES_ID 94 RES_TYPE LYS PREV_TYPE MET(29.5) HIS(22.0) ARG(15.7) LYS(9.9) GLU(8.7) SPIN_SYSTEM_ID 20 HETEROGENEITY 100 C:-1 169.4100 (A.25) HN 8.4400 (A.25 B.24 C.34 C.35 D.186 E.290 F.115 F.116 F.119) N 124.2900 (A.25 B.24 C.34 C.35 D.186 E.290 F.115 F.116 F.119) CA:-1 53.0900 (C.35 F.116) CB:-1 34.2700 (C.34 E.290 F.119) CA 54.8500 (D.186 F.115) CB 34.1300 HA 4.1700 HB1|HB2 2.1100 HG1|HG2 1.6000 END_RES_DEF RES_ID 95 RES_TYPE THR PREV_TYPE MET(26.8) LYS(24.8) ARG(12.3) TRP(11.4) GLU(9.7) \ CYS(6.1) HIS(5.5) SPIN_SYSTEM_ID 22 HETEROGENEITY 100 C:-1 178.3200 (A.28) HN 7.4600 (A.28 B.66 C.264 C.38 D.270 F.578) N 123.8300 (A.28 B.66 C.264 C.38 D.270 F.578) CA:-1 54.8400 (C.38) CB:-1 34.1300 (C.264 F.578) CA 62.7600 (D.270 F.645) CB 67.9800 CG2 22.6800 (H.73 -ZF.392 -ZF.393 -ZF.397 -ZF.398) HA 4.3300 (-ZF.393) HB 4.1800 HG2# 1.1500 (H.72 -ZF.392 -ZF.393 -ZF.397 -ZF.398) END_RES_DEF RES_ID 96 RES_TYPE ALA PREV_TYPE THR(100.0) SPIN_SYSTEM_ID 152 HETEROGENEITY 100 C:-1 171.3100 (A.171) HN 8.6700 (A.171 B.124 C.255 C.256 D.17 F.567 F.566 F.479) N 108.5100 (A.171 B.124 C.255 C.256 D.17 F.567 F.566 F.479) CA:-1 62.6400 (C.255) CB:-1 67.9800 (C.256 F.566 F.480) CA 53.5600 (D.17 F.479) CB 18.2700 (F.567 F.568) HA 4.0690 HB# 1.3440 (G.79 -U.169) END_RES_DEF RES_ID 97 RES_TYPE GLY PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 144 HETEROGENEITY 100 C:-1 180.4400 (A.164) HN 8.6700 (A.164 B.21 C.249 C.250 D.23 D.24 D.26 E.8 F.463 F.464 F.467) N 109.4300 (A.164 B.21 C.249 C.250 D.23 D.24 D.26 E.8 F.463 F.464 F.467) CA:-1 53.4900 (C.249 D.23 D.26 F.463) CB:-1 18.2000 (C.250 F.467) HA:-1 4.0300 HB:-1 1.3200 CA 45.8300 (D.24 E.8 F.464) HA1 4.0600 HA2 3.6900 END_RES_DEF RES_ID 98 RES_TYPE LYS SPIN_SYSTEM_ID 98 HETEROGENEITY 100 C:-1 170.5100 (A.98) HN 6.8600 (A.98 B.87 C.173 D.93 D.94 E.81 F.302 F.304 F.307) N 118.2700 (A.98 B.87 C.173 D.93 D.94 E.81 F.302 F.304 F.307) CA:-1 45.8400 (C.173 D.94 F.302) HA1:-1 4.0300 HA2:-1 3.6900 CA 54.5700 (D.93 E.81 F.304) CB 33.9100 (F.307) HA 4.6000 HB1|HB2 1.4600 HG1|HG2 1.2600 END_RES_DEF RES_ID 99 RES_TYPE ARG PREV_TYPE MET(27.3) LYS(18.7) ARG(14.5) GLU(11.0) TRP(9.7) \ HIS(7.4) CYS(6.6) SPIN_SYSTEM_ID 10 HETEROGENEITY 100 C:-1 172.9800 (A.12) HN 8.2800 (A.12 B.33 C.13 C.14 D.200 D.201 F.60 F.62 F.64 F.66 -P.351) N 126.7800 (A.12 B.33 C.13 C.14 D.200 D.201 F.60 F.62 F.64 F.66) CA:-1 54.6000 (C.14 D.201 F.64) CB:-1 33.7300 (C.13 F.60) HA:-1 4.6000 HB1|HB2:-1 1.4600 CA 57.1900 (D.200 F.62) CB 30.5500 (F.66) CG 20.3000 HA 4.1370 HB1|HB2 1.4960 (G.80) HB1|HB2 1.1810 HG1|HG2 0.7200 (-U.743) END_RES_DEF RES_ID 100 RES_TYPE TYR PREV_TYPE TRP(21.8) HIS(19.4) ARG(16.8) GLU(15.1) CYS(11.0) \ LYS(5.6) MET(5.1) SPIN_SYSTEM_ID 108 HETEROGENEITY 100 C:-1 177.2100 (A.108) HN 9.8600 (A.108 B.5 C.187 C.188 D.245 F.328 F.335 F.592 -P.351) N 117.5600 (A.108 B.5 C.187 C.188 D.245 F.328 F.335 F.592) CA:-1 57.2800 (C.187 D.245 F.335) CB:-1 30.5600 (C.188 F.592) CA 57.6300 (F.646) CB 37.5600 (F.328 -ZF.202) HA 4.2900 HB1|HB2 3.4010 (-ZF.196 -ZF.202) CD1|CD2 133.1100 (-ZA.68 -ZD.38) HD1|HD2 7.0850 (-ZA.68 -ZD.38) CE1|CE2 117.6500 (-ZA.73 -U.279 -U.743 -ZF.196 -ZF.403 -ZF.200) HE1|HE2 6.7630 (-ZA.73 -U.279 -U.743 -ZF.196 -ZF.202 -ZF.403 -ZF.200) END_RES_DEF RES_ID 101 RES_TYPE VAL PREV_TYPE TYR(38.2) PHE(32.9) ASN(22.2) ILE(6.6) SPIN_SYSTEM_ID 112 HETEROGENEITY 100 C:-1 173.8400 (A.112) HN 7.1900 (A.112 B.78 C.193 C.197 D.243 D.77 F.338 F.344 F.594 F.595) N 117.3500 (A.112 B.78 C.193 C.197 D.243 D.77 F.338 F.344 F.594 F.595) CA:-1 57.6300 (C.193 D.243 F.595) CB:-1 37.5400 (C.197 F.594) CA 62.5200 (D.77 F.338) CB 32.3800 (F.344) CG2 23.0000 (-ZF.204) HG2# 0.9700 (-ZF.204) CG1 22.6100 HG1# 0.8200 HA 4.9800 (-ZF.204) HB 1.8300 (-ZF.397) END_RES_DEF RES_ID 102 RES_TYPE TYR SPIN_SYSTEM_ID 8 HETEROGENEITY 100 C:-1 174.8600 (A.10) HN 8.5000 (A.10 B.22 C.10 D.203 F.54 F.59) N 127.1600 (A.10 B.22 C.10 D.203 F.54 F.59) CA:-1 62.4500 (C.10) CA 56.6400 (D.203 F.54) CB 43.9000 (F.59) HA 4.7590 HB1|HB2 3.1430 (-ZF.281) HB1|HB2 3.1900 CD1|CD2 128.9700 (-ZA.75 -ZF.432 -ZF.433) HD1|HD2 6.5700 (-ZA.75 -ZF.432 -ZF.433) CE1|CE2 121.5500 HE1|HE2 6.6700 (-ZF.349 -ZF.374) END_RES_DEF RES_ID 103 RES_TYPE ARG PREV_TYPE LEU(39.1) PHE(28.4) TYR(26.0) ASP(6.4) SPIN_SYSTEM_ID 123 HETEROGENEITY 100 C:-1 167.7100 (A.124) HN 9.2300 (A.124 B.10 C.219 C.220 D.60 F.381 F.385 F.386) N 115.5600 (A.124 B.10 C.219 C.220 D.60 F.381 F.385 F.386) CA:-1 56.6900 (C.220) CB:-1 43.9400 (C.219) CA 55.6700 (D.60 F.381 F.385) CB 34.8200 (F.386) CD 41.9800 HA 5.3100 (-ZF.384) HB1|HB2 1.6900 (-P.357 -ZA.57 -ZF.398) HB1|HB2 1.7200 HD1|HD2 3.0100 END_RES_DEF RES_ID 104 RES_TYPE PHE PREV_TYPE LYS(41.0) MET(21.0) TRP(18.0) ARG(8.3) GLU(7.1) SPIN_SYSTEM_ID 28 HETEROGENEITY 100 C:-1 176.2400 (A.176) HN 8.1400 (A.176 B.98 C.266 C.51 D.258 D.175 F.580) N 123.2900 (A.176 B.98 C.266 C.51 D.258 D.175 F.580) CA:-1 55.7800 (C.51 D.258) CB:-1 34.9300 (C.266) CA 60.0300 (D.175 F.580) CB 40.2500 HA 5.0630 HB1|HB2 3.3230 (-P.34 -ZA.7 -ZA.71 -ZF.444) CD1|CD2 131.9300 HD1|HD2 7.7200 (-ZF.359) CE1|CE2 132.6000 HE1|HE2 7.6000 CZ 132.0500 HZ 7.8000 END_RES_DEF RES_ID 105 RES_TYPE VAL SPIN_SYSTEM_ID 24 HETEROGENEITY 100 C:-1 173.1100 (A.30) HN 7.3800 (A.30 B.68 C.40 C.265 D.262 D.181 E.177 E.280 F.126 F.134) N 123.6500 (A.30 B.68 C.40 C.265 D.262 D.181 E.177 E.280 F.126 F.134) CA:-1 60.0200 (C.40 D.262 F.134) CB:-1 40.2500 (C.265) CA 63.9200 (D.181 E.280 F.126) CB 32.7900 (E.177) CG1 19.7900 HG1# 0.2200 (-ZF.344 -ZF.346 -ZF.347 -ZF.389) CG2 22.0500 HG2# 0.7470 HA 3.9500 HB 1.8980 END_RES_DEF RES_ID 113 RES_TYPE ASP PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 101 HETEROGENEITY 100 C:-1 178.9100 (A.101) HN 8.2000 (A.101 B.97 C.178 C.179 D.90 E.227 E.77 F.325 F.547 F.549 F.591) N 118.0500 (A.101 B.97 C.178 C.179 D.90 E.227 E.77 F.325 F.547 F.549 F.591) CA:-1 53.3600 (C.179 F.325) CB:-1 19.2200 (C.178 F.591) C*:-1 22.8000 CA 54.7000 (D.90 E.227 F.547) CB 41.0200 (E.77 F.549) HA 4.5700 HB1|HB2 2.7350 HB1|HB2 2.6900 END_RES_DEF RES_ID 116 RES_TYPE LYS PREV_TYPE ASN(60.5) ASP(26.3) SPIN_SYSTEM_ID 55 HETEROGENEITY 100 C:-1 178.6600 (A.181) HN 8.0100 (A.181 C.279 C.278) N 120.8700 (A.181 C.279 C.278) CA:-1 53.5600 (C.278) CB:-1 39.0200 (C.279) END_RES_DEF RES_ID 117 RES_TYPE ALA PREV_TYPE LEU(49.5) SPIN_SYSTEM_ID 27 HETEROGENEITY 100 C:-1 176.3800 (A.34) HN 8.0600 (A.34 B.41 C.43 C.315 D.176 D.259 E.171 E.172 F.140) N 123.4000 (A.34 B.41 C.43 C.315 D.176 D.259 E.171 E.172 F.140) CA:-1 55.2800 (C.43 D.259) CB:-1 42.5200 (C.315) HA:-1 4.1900 CA 53.2400 (D.176 E.171) CB 19.2200 (E.172 F.140) HA 4.3460 HB# 1.4570 END_RES_DEF RES_ID 123 RES_TYPE GLY PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 142 HETEROGENEITY 100 C:-1 172.2100 (A.160) HN 8.2300 (A.160 C.299 C.313 D.27 E.12 F.459) N 109.8700 (A.160 C.299 C.313 D.27 E.12 F.459) CA:-1 58.6300 (C.299) CB:-1 64.2600 (C.313) CA 44.3200 (D.27 E.12 F.459) HA1 4.0300 HA2 4.5100 END_RES_DEF RES_ID 124 RES_TYPE PRO SPIN_SYSTEM_ID 403 HETEROGENEITY 100 CA 63.3300 (C.70 D.154 D.156 E.272 F.174) CB 32.2300 (C.72 E.270 F.168) CG 27.6300 CD 49.9700 HA 4.4600 HB1|HB2 2.2820 HB1|HB2 1.9780 HG1|HG2 2.0800 HG1|HG2 1.9760 HD1|HD2 3.7070 HD1|HD2 3.8680 END_RES_DEF RES_ID 174 RES_TYPE MET PREV_TYPE HIS(19.7) ARG(17.2) GLU(16.0) GLN(14.4) CYS(13.8) \ MET(6.6) TRP(5.6) SPIN_SYSTEM_ID 374 HETEROGENEITY 100 C:-1 179.0700 (A.26) HN 7.9500 (A.26 B.46 C.36 C.37 D.184 F.120 F.123) N 124.0500 (A.26 B.46 C.36 C.37 D.184 F.120 F.123) CA:-1 54.9100 (C.37) CB:-1 30.9300 (C.36) CD:-1 28.8800 HA:-1 4.5700 H*1|2:-1 2.0700 H*1|2:-1 1.4100 H*1|2:-1 1.6800 CA 55.8600 (D.184 F.120) CB 29.1200 (F.123) CG 32.0300 CE 13.3800 (-ZF.299 -ZF.300 -ZF.301) HA 4.3300 (-ZF.301) HE# 2.2100 (-ZF.299 -ZF.300 -ZF.301) END_RES_DEF RES_ID 201 RES_TYPE THY SPIN_SYSTEM_ID 301 HETEROGENEITY 100 H6 7.4806 H5# 1.6430 H2' 2.0500 END_RES_DEF RES_ID 202 RES_TYPE CYT SPIN_SYSTEM_ID 302 HETEROGENEITY 100 H6 7.5367 H5 5.8266 HN'' 6.4370 HN' 8.1770 H1' 5.5437 H2' 2.0753 H2'' 2.3487 H3' 4.8191 H4' 4.1159 H5' 4.0068 END_RES_DEF RES_ID 203 RES_TYPE GUA SPIN_SYSTEM_ID 303 HETEROGENEITY 100 H1 12.8780 H8 7.9140 HN' 6.9270 HN'' 8.6140 H1' 5.4654 H2' 2.6696 H2'' 2.7627 H3' 5.0267 H4' 4.3348 END_RES_DEF RES_ID 204 RES_TYPE ADE SPIN_SYSTEM_ID 304 HETEROGENEITY 100 H8 8.1908 H2 7.5670 H1' 6.0813 H2' 2.8238 H2'' 2.9831 H3' 5.1886 (-U.279) H4' 4.5124 H5' 4.1600 H5'' 4.0100 END_RES_DEF RES_ID 205 RES_TYPE GUA SPIN_SYSTEM_ID 305 HETEROGENEITY 100 H1 12.9190 H8 7.8596 H1' 6.0674 H2' 2.7025 H2'' 3.0802 H3' 5.1628 (-ZF.26 -ZF.403) H4' 4.5124 H5' 4.3016 H5'' 4.1578 (-ZF.200) END_RES_DEF RES_ID 206 RES_TYPE CYT SPIN_SYSTEM_ID 306 HETEROGENEITY 100 H6 7.2249 (-ZD.26) H5 5.2977 H1' 5.9298 H2' 1.9923 H2'' 2.5609 H3' 4.9400 H4' 4.6149 (-ZF.334) H5' 4.1540 H5'' 4.1540 END_RES_DEF RES_ID 207 RES_TYPE CYT SPIN_SYSTEM_ID 307 HETEROGENEITY 100 H6 6.8410 H5 4.6183 HN'' 8.8650 H1' 5.7033 H2' 1.1481 (-ZF.62) H2'' 1.1481 H3' 4.9516 H4' 4.2420 H5' 4.1757 H5'' 4.0527 END_RES_DEF RES_ID 208 RES_TYPE GUA SPIN_SYSTEM_ID 308 HETEROGENEITY 100 H1 12.7200 H8 7.8334 H1' 5.6299 H2' 2.7230 H2'' 2.6093 H3' 5.0400 H4' 4.2982 END_RES_DEF RES_ID 209 RES_TYPE GUA SPIN_SYSTEM_ID 309 HETEROGENEITY 100 H1 12.4630 H8 7.6450 H1' 5.8529 H2' 2.3886 H2'' 2.8692 H3' 5.0571 (-ZF.96 -ZF.104) H4' 4.3938 H5' 4.1221 H5'' 4.1800 END_RES_DEF RES_ID 210 RES_TYPE ADE SPIN_SYSTEM_ID 310 HETEROGENEITY 100 H8 7.9930 H2 7.3090 HN'' 5.9800 H1' 5.7804 H2' 2.5294 H2'' 2.7703 H3' 5.0565 H4' 4.2968 H5' 3.9600 H5'' 4.1000 END_RES_DEF RES_ID 211 RES_TYPE ADE SPIN_SYSTEM_ID 311 HETEROGENEITY 100 H8 8.0145 H2 7.3320 HN'' 6.0000 H1' 5.9729 H2' 2.6480 H2'' 2.7651 H3' 5.0002 H4' 4.4284 END_RES_DEF RES_ID 212 RES_TYPE GUA SPIN_SYSTEM_ID 312 HETEROGENEITY 100 H1 12.8660 H8 7.4570 H1' 5.7880 H2' 2.3902 H2'' 2.6517 H3' 4.8364 H4' 4.3668 END_RES_DEF RES_ID 213 RES_TYPE THY SPIN_SYSTEM_ID 313 HETEROGENEITY 100 H3 13.7340 H6 7.2000 H5# 0.9745 H1' 6.0753 H2' 2.0850 H2'' 2.4723 H3' 4.8916 H4' 4.2980 H5' 4.2100 H5'' 4.1100 END_RES_DEF RES_ID 214 RES_TYPE THY SPIN_SYSTEM_ID 314 HETEROGENEITY 100 H3 14.1120 H6 7.3956 H5# 1.5722 H1' 6.0086 H2' 2.0901 H2'' 2.4698 H3' 4.8317 H4' 4.6201 H5' 4.1240 H5'' 4.0091 END_RES_DEF RES_ID 215 RES_TYPE CYT SPIN_SYSTEM_ID 315 HETEROGENEITY 100 H6 7.4217 H5 5.7330 HN' 6.9110 H1' 5.6639 H2' 1.7913 H2'' 2.2235 H3' 4.8031 H4' 3.9993 END_RES_DEF RES_ID 216 RES_TYPE GUA SPIN_SYSTEM_ID 316 HETEROGENEITY 100 H8 7.8492 H1' 5.7617 H2' 2.3965 H2'' 2.5500 H3' 4.9542 H4' 4.2191 END_RES_DEF RES_ID 217 RES_TYPE ADE SPIN_SYSTEM_ID 317 HETEROGENEITY 100 H8 8.1924 H1' 6.3528 H2' 2.4505 H2'' 2.6295 H3' 4.7211 H4' 4.5200 END_RES_DEF RES_ID 218 RES_TYPE THY SPIN_SYSTEM_ID 318 HETEROGENEITY 100 H6 7.4974 H5# 1.6716 H2' 2.0700 END_RES_DEF RES_ID 219 RES_TYPE CYT SPIN_SYSTEM_ID 319 HETEROGENEITY 100 H6 7.8596 H5 6.0766 H3' 4.9758 END_RES_DEF RES_ID 220 RES_TYPE GUA SPIN_SYSTEM_ID 320 HETEROGENEITY 100 H1 12.8040 END_RES_DEF RES_ID 221 RES_TYPE ADE SPIN_SYSTEM_ID 321 HETEROGENEITY 100 H8 7.8800 H2 7.5840 H1' 5.3300 H2' 2.6200 H2'' 2.6900 H3' 4.9700 H4' 4.2900 END_RES_DEF RES_ID 222 RES_TYPE ADE SPIN_SYSTEM_ID 322 HETEROGENEITY 100 H8 8.0500 H2 7.6800 H1' 5.9961 H2' 2.5760 H2'' 2.7587 H3' 5.1014 H4' 4.4200 H5' 4.1200 H5'' 4.1800 END_RES_DEF RES_ID 223 RES_TYPE CYT SPIN_SYSTEM_ID 323 HETEROGENEITY 100 H6 7.5777 H5 5.9427 HN'' 6.5810 HN' 7.7960 H1' 5.8300 H2' 2.4700 H2'' 2.0700 END_RES_DEF RES_ID 224 RES_TYPE THY SPIN_SYSTEM_ID 324 HETEROGENEITY 100 H3 14.0120 H6 7.5207 H5# 1.3600 H1' 6.0443 (-ZF.299) H2' 2.2662 (-ZF.219) H2'' 2.4630 H3' 4.8000 (-ZF.217 -ZF.312 -ZF.315) H4' 4.5055 END_RES_DEF RES_ID 225 RES_TYPE THY SPIN_SYSTEM_ID 325 HETEROGENEITY 100 H3 13.9470 H6 6.4715 (-ZC.4 -ZD.22) H5# 1.5355 H1' 5.4186 H2' 1.3925 (-ZD.38 -ZD.164 -ZF.285) H2'' 1.9227 H3' 4.7746 H4' 4.0160 (-ZF.311) END_RES_DEF RES_ID 226 RES_TYPE CYT SPIN_SYSTEM_ID 326 HETEROGENEITY 100 H6 7.1619 H5 5.4667 HN' 5.3910 HN'' 8.1960 H1' 5.9417 H2' 1.9542 H2'' 2.6400 H3' 4.7788 H4' 4.6630 (-ZF.300) H5' 4.0754 H5'' 4.2136 END_RES_DEF RES_ID 227 RES_TYPE CYT SPIN_SYSTEM_ID 327 HETEROGENEITY 100 H6 7.3140 H5 5.4288 H1' 6.0153 H2' 2.6203 H2'' 2.8535 H3' 4.7760 H4' 4.5100 END_RES_DEF RES_ID 228 RES_TYPE GUA SPIN_SYSTEM_ID 328 HETEROGENEITY 100 H8 7.4681 (-ZF.55) H1 12.6300 H1' 5.9117 H2' 2.7311 H2'' 2.8578 H3' 4.9736 H4' 4.3538 H5' 4.2993 END_RES_DEF RES_ID 229 RES_TYPE GUA SPIN_SYSTEM_ID 329 HETEROGENEITY 100 H8 7.8464 (-P.232 -P.350) H1' 5.7889 H2' 2.5700 H2'' 2.6413 H3' 4.8721 END_RES_DEF RES_ID 230 RES_TYPE CYT SPIN_SYSTEM_ID 330 HETEROGENEITY 100 H6 7.3207 H5 5.0692 HN' 6.3410 HN'' 8.1090 H1' 5.9498 H2' 2.0645 H2'' 2.5074 H3' 4.8740 END_RES_DEF RES_ID 231 RES_TYPE THY SPIN_SYSTEM_ID 331 HETEROGENEITY 100 H3 13.7910 H6 7.3990 H5# 1.5590 H1' 6.0200 H2' 2.1110 H2'' 2.4698 H3' 5.0690 END_RES_DEF RES_ID 232 RES_TYPE CYT SPIN_SYSTEM_ID 332 HETEROGENEITY 100 H6 7.4373 H5 5.6949 HN'' 6.9270 H1' 5.5901 H2' 1.8766 H2'' 2.2077 H3' 4.8036 H4' 4.0362 END_RES_DEF RES_ID 233 RES_TYPE GUA SPIN_SYSTEM_ID 333 HETEROGENEITY 100 H8 7.5903 H1 12.7680 H1' 6.0237 END_RES_DEF RES_ID 234 RES_TYPE ADE SPIN_SYSTEM_ID 334 HETEROGENEITY 100 H8 7.9400 H1' 5.5085 H2' 2.6155 H2'' 2.8414 END_RES_DEF RES_ID 306 RES_TYPE LEU PREV_TYPE ASP(38.2) LEU(20.5) PHE(20.0) TYR(18.8) SPIN_SYSTEM_ID 47 HETEROGENEITY 100 C:-1 177.1200 (A.54) HN \ 7.9500 (A.54 B.109 C.273 C.272 D.148 D.151 E.144 E.264 E.265 E.150 F.517 F.193 F.516 F.186) N \ 121.6200 (A.54 B.109 C.273 C.272 D.148 D.151 E.144 E.264 E.265 E.150 F.517 F.193 F.516 F.186) CA:-1 55.3500 (C.272 D.148 E.265 F.516) CB:-1 40.9200 (C.273 E.264 F.517) HA:-1 4.5600 HB1|HB2:-1 2.7100 CA 56.2600 (D.151 E.150 F.186) CB 42.1800 (E.144 F.193) CG 26.8600 CD1|CD2 25.2200 CD1|CD2 23.4000 HA 4.2400 HB1|HB2 1.5600 HG 1.6000 HD1#|HD2# 0.7700 END_RES_DEF RES_ID 307 RES_TYPE ASP PREV_TYPE TRP(20.8) ARG(18.7) HIS(17.9) GLU(17.2) CYS(13.2) \ GLN(5.7) SPIN_SYSTEM_ID 74 HETEROGENEITY 100 C:-1 177.5800 (A.77) HN \ 8.1400 (A.77 B.118 C.126 C.127 D.121 D.124 E.113 E.115 E.239 E.118 F.537 F.535 F.235 F.241) N \ 120.0200 (A.77 B.118 C.126 C.127 D.121 D.124 E.113 E.115 E.239 E.118 F.537 F.535 F.235 F.241) CA:-1 57.9400 (C.127 D.121 E.239 F.537) CB:-1 30.0200 (C.126 E.113 F.535) C*:-1 36.3900 HA:-1 4.1400 HB1|HB2:-1 2.0100 HB1|HB2:-1 2.2900 HG1|HG2:-1 1.6500 CA 55.3300 (D.124 E.118 F.235) CB 40.9400 (E.115 F.241) HA 4.5600 HB1|HB2 2.7560 END_RES_DEF RES_ID 308 RES_TYPE GLU PREV_TYPE LEU(30.3) PHE(26.8) TYR(25.0) ASP(17.9) SPIN_SYSTEM_ID 77 HETEROGENEITY 100 C:-1 178.9300 (A.186) HN \ 8.2400 (A.186 B.114 C.138 C.139 D.114 D.117 E.105 E.109 E.111 E.298 F.539 F.250 F.538 F.254) N \ 119.7100 (A.186 B.114 C.138 C.139 D.114 D.117 E.105 E.109 E.111 E.298 F.539 F.250 F.538 F.254) CA:-1 56.4100 (C.139 D.117 E.109 F.539) CB:-1 41.7800 (C.138 E.298 F.538) C*:-1 24.4800 HA:-1 4.1600 HB1|HB2:-1 1.5300 HG1|HG2:-1 0.7600 CA 57.9500 (D.114 E.111 F.250) CB 30.0200 (E.105 F.254) HA 4.1400 HB1|HB2 2.0280 END_RES_DEF RES_ID 309 RES_TYPE LEU(30.3) PHE(26.3) TYR(24.6) ASP(17.3) PREV_TYPE LYS(32.7) MET(24.5) TRP(19.7) ARG(7.2) GLU(6.6) \ CYS(5.2) SPIN_SYSTEM_ID 48 HETEROGENEITY 100 C:-1 176.3000 (A.55) HN 8.2300 (A.55 B.96 C.79 C.80 D.149 E.263 E.143 E.147 F.190 F.191 F.192) N 121.4800 (A.55 B.96 C.79 C.80 D.149 E.263 E.143 E.147 F.190 F.191 F.192) CA:-1 56.8400 (C.80) CB:-1 32.9200 (C.79 E.263 F.191) HA:-1 4.3700 HB1|HB2:-1 2.0300 HB1|HB2:-1 2.5000 CA 56.4300 (D.149 E.147 F.190) CB 41.8000 (E.143 F.192) HA 4.1700 HB1|HB2 1.4970 END_RES_DEF RES_ID 310 RES_TYPE MET PREV_TYPE GLN(21.9) CYS(19.3) GLU(17.1) HIH(12.4) ARG(11.7) \ HIS(9.7) TRP(5.2) SPIN_SYSTEM_ID 57 HETEROGENEITY 100 C:-1 172.7000 (A.62) HN \ 8.3500 (A.62 B.29 C.99 C.100 D.134 D.135 E.252 E.132 E.250 E.249 F.207 F.208 F.210) N \ 120.6600 (A.62 B.29 C.99 C.100 D.134 D.135 E.252 E.132 E.250 E.249 F.207 F.208 F.210) CA:-1 55.9800 (C.99 D.135 E.250 F.207) CB:-1 29.2100 (C.100 E.252) HA:-1 4.7400 HA:-1 3.2400 CA 56.8600 (D.134 E.249 F.208) CB 32.8700 (E.132 F.210) CG 32.0300 CE 17.0800 HA 4.2120 HB1|HB2 2.0270 HE# 2.1100 END_RES_DEF RES_ID 311 RES_TYPE HIS PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 195 HETEROGENEITY 100 CA:-1 58.4200 (C.94) CB:-1 64.1400 (C.93) HN 8.7400 (C.93 C.94 E.133 E.135 E.136) N 121.1300 (C.93 C.94 E.133 E.135 E.136) CA 55.8800 (E.136) CB 29.5300 (E.133 E.135) END_RES_DEF RES_ID 314 RES_TYPE ARG PREV_TYPE VAL(100.0) SPIN_SYSTEM_ID 17 HETEROGENEITY 100 C:-1 173.8500 (A.21) HN \ 8.0900 (A.21 B.39 C.30 C.31 D.188 D.190 E.183 E.283 E.184 E.295 F.96 F.100 F.102 F.103) N \ 125.3700 (A.21 B.39 C.30 C.31 D.188 D.190 E.183 E.283 E.184 E.295 F.96 F.100 F.102 F.103) CA:-1 63.1700 (C.31 D.188 E.283 F.96) CB:-1 34.4900 (C.30 E.295 F.102) HA:-1 4.7000 HB1|HB2:-1 2.1500 CA 57.8200 (D.190 E.184 F.100) CB 31.5400 (E.183 F.103) HA 4.1600 HB1|HB2 1.8700 END_RES_DEF RES_ID 316 RES_TYPE VAL PREV_TYPE LEU(49.5) SPIN_SYSTEM_ID 36 HETEROGENEITY 100 C:-1 177.4400 (A.44) HN \ 8.0300 (A.44 B.42 C.68 C.69 D.162 D.163 E.156 E.157 E.159 E.160 F.166 F.167 F.170 F.171) N \ 122.3000 (A.44 B.42 C.68 C.69 D.162 D.163 E.156 E.157 E.159 E.160 F.166 F.167 F.170 F.171) CA:-1 55.3400 (C.69 D.163 E.159 F.166) CB:-1 42.5600 (C.68 E.156 F.170) C*:-1 27.0100 C*:-1 25.0100 C*:-1 23.6200 HA:-1 4.3700 HB1|HB2:-1 1.6000 HG1|HG2:-1 0.8900 CA 59.8600 (D.162 E.160 F.167) CB 32.8700 (E.157 F.171) CG1|2 21.0400 CG1|2 20.4900 HA 4.4300 HB1|HB2 2.0950 HG1|HG2 0.9830 END_RES_DEF RES_ID 317 RES_TYPE LEU PREV_TYPE GLY(0.0) SPIN_SYSTEM_ID 194 HETEROGENEITY 100 C:-1 170.9300 (A.57) CA:-1 45.4500 (C.303 D.145 E.139 F.189) HN \ 8.0800 (A.57 B.40 C.303 D.144 D.145 E.138 E.139 E.262 F.189 F.194 F.196 F.203) N \ 121.3900 (A.57 B.40 C.303 D.144 D.145 E.138 E.139 E.262 F.189 F.194 F.196 F.203) CA 55.3200 (D.144 E.262 F.196) CB 42.5700 (E.138 F.194) HA 4.3700 HB1|HB2 1.5920 END_RES_DEF RES_ID 318 RES_TYPE GLY PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 139 HETEROGENEITY 100 C:-1 173.1500 (A.195) HN \ 8.4100 (A.195 B.161 C.298 C.245 D.29 D.31 E.202 E.17 E.200 F.564 F.453 F.601) N \ 110.2900 (A.195 B.161 C.298 C.245 D.29 D.31 E.202 E.17 E.200 F.564 F.453 F.601) CA:-1 58.7900 (C.298 D.29 E.200 F.564) CB:-1 64.1200 (C.245 E.202 F.601) HA:-1 4.5100 HB1|HB2:-1 3.9400 CA 45.4400 (D.31 E.17 F.453) HA1 3.9900 END_RES_DEF RES_ID * RES_TYPE UNK PREV_TYPE VAL(100.0) SPIN_SYSTEM_ID 12 HETEROGENEITY 100 C:-1 175.1000 (A.14) HN \ 7.9100 (A.14 B.47 C.17 C.18 D.196 D.197 E.188 E.189 E.190 F.73 F.74 F.75) N \ 126.3600 (A.14 B.47 C.17 C.18 D.196 D.197 E.188 E.189 E.190 F.73 F.74 F.75) CA:-1 63.5600 (C.18 D.196 E.189 F.73) CB:-1 32.0800 (C.17 E.188 F.75) C*:-1 51.1700 C*:-1 27.4300 HA:-1 4.4100 HB1|HB2:-1 3.7000 HB1|HB2:-1 3.8600 HG1|HG2:-1 1.9600 HG1|HG2:-1 2.2800 CA 57.5000 (D.197 E.190 F.74) CB 46.1200 (F.574) HA 4.1800 END_RES_DEF RES_ID * RES_TYPE LEU(39.3) PHE(25.5) TYR(23.2) ASP(12.1) PREV_TYPE HIH(39.0) GLN(31.1) CYS(15.2) GLU(7.3) SPIN_SYSTEM_ID 30 HETEROGENEITY 100 C:-1 174.1100 (A.37) HN 8.4200 (A.37 B.28 C.53 C.54 D.172 E.168 E.278 E.169 F.150 F.152) N 122.9800 (A.37 B.28 C.53 C.54 D.172 E.168 E.278 E.169 F.150 F.152) CA:-1 55.8500 (C.54 D.172 E.168 F.150) CB:-1 26.9000 (C.53) C*:-1 51.6000 HA:-1 4.5000 HB1|HB2:-1 2.2600 HB1|HB2:-1 2.9200 CA 56.1500 (E.169) CB 42.2700 (E.278 F.152) HA 4.2200 END_RES_DEF RES_ID * RES_TYPE UNK PREV_TYPE TRP(20.6) HIS(19.4) ARG(17.1) GLU(16.5) CYS(13.2) \ GLN(5.6) SPIN_SYSTEM_ID 65 HETEROGENEITY 100 C:-1 176.4600 (A.183) HN 8.1700 (A.183 C.111 C.305 D.127 F.216) N 120.3900 (A.183 C.111 C.305 D.127 F.216) CA:-1 57.5900 (C.111) CB:-1 30.1400 (C.305) CA 54.9100 (D.127 F.216) HA 4.5900 END_RES_DEF RES_ID * RES_TYPE TRP(21.1) HIS(19.8) ARG(17.0) GLU(16.0) CYS(12.3) \ GLN(5.1) PREV_TYPE LEU(35.1) PHE(26.0) TYR(23.9) ASP(15.0) SPIN_SYSTEM_ID 66 HETEROGENEITY 100 C:-1 178.4200 (A.70) HN \ 8.4400 (A.70 B.25 C.114 C.115 D.126 E.293 E.294 E.295 E.296 F.225 F.226 F.229) N \ 120.3000 (A.70 B.25 C.114 C.115 D.126 E.293 E.294 E.295 E.296 F.225 F.226 F.229) CA:-1 56.1800 (C.115 E.294 F.226) CB:-1 42.0300 (C.114 E.295) HA:-1 4.2300 HB1|HB2:-1 1.5700 CA 57.4500 (D.126 E.293 F.225) CB 30.2900 (E.296 F.229) HA 4.1900 END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 67 HETEROGENEITY 100 C:-1 178.2600 (A.71) HN 8.3100 (A.71 C.113 F.231) N 120.3200 (A.71 C.113 F.231) CA:-1 52.6200 (C.113) CA 56.5700 (F.231) HA 4.2800 END_RES_DEF RES_ID * RES_TYPE UNK PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 81 HETEROGENEITY 100 C:-1 172.1400 (A.81) HN 8.5400 (A.81 C.135 C.137 D.118 E.237 E.104 E.108 E.110 F.247) N 119.7800 (A.81 C.135 C.137 D.118 E.237 E.104 E.108 E.110 F.247) CA:-1 58.5600 (C.137 E.108) CB:-1 64.0200 (C.135 E.237) HA:-1 4.4500 HB1|HB2:-1 3.8400 CA 55.4100 (D.118 E.110 F.247) CB 29.2900 (E.104) HA 3.1800 END_RES_DEF RES_ID * RES_TYPE ARG(17.9) GLU(17.8) HIS(17.5) TRP(16.1) CYS(14.0) \ GLN(6.5) PREV_TYPE LEU(38.9) SPIN_SYSTEM_ID 82 HETEROGENEITY 100 C:-1 178.4900 (A.82) HN 8.1000 (A.82 B.158 C.133 C.141 D.252 D.115 E.102 E.236 F.540 F.586) N 119.5900 (A.82 B.158 C.133 C.141 D.252 D.115 E.102 E.236 F.540 F.586) CA:-1 55.9800 (C.141 D.252) CB:-1 42.2000 (C.133) C*:-1 23.8900 HA:-1 4.2500 HB1|HB2:-1 1.6200 CA 56.7400 (D.115 E.236 F.540) CB 30.4500 (E.102 F.586) HA 4.2000 END_RES_DEF RES_ID * RES_TYPE VAL(54.1) LYS(22.6) MET(14.4) TRP(8.9) PREV_TYPE LEU(48.9) SPIN_SYSTEM_ID 102 HETEROGENEITY 100 C:-1 175.1700 (A.102) HN \ 7.7000 (A.102 B.53 C.180 C.181 D.247 D.85 E.229 E.70 E.228 E.226 F.314 F.316 F.320 F.322) N \ 117.9600 (A.102 B.53 C.180 C.181 D.247 D.85 E.229 E.70 E.228 E.226 F.314 F.316 F.320 F.322) CA:-1 55.4200 (C.181 D.247 E.228 F.314) CB:-1 42.5700 (C.180 E.229 F.320) C*:-1 25.2300 HA:-1 4.3500 HB1|HB2:-1 1.5900 HG1|HG2:-1 0.8900 CA 59.0200 (D.85 E.226 F.316) CB 34.5400 (E.70 F.322) HA 4.3300 END_RES_DEF RES_ID * RES_TYPE UNK PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 105 HETEROGENEITY 100 C:-1 172.3800 (A.105) HN 8.5200 (A.105 B.102 C.182 C.186 D.82 E.63 E.69 F.326 F.332) N 117.7600 (A.105 B.102 C.182 C.186 D.82 E.63 E.69 F.326 F.332) CA:-1 58.4800 (C.186 D.82 E.69 F.326) CB:-1 64.1000 (C.182 E.63 F.332) HA:-1 4.5300 HB1|HB2:-1 3.8900 HA 4.4500 END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 130 HETEROGENEITY 100 C:-1 183.1600 (A.131) HN 9.2900 (A.131 B.9 C.232 C.311 D.49 F.599) N 113.7400 (A.131 B.9 C.232 C.311 D.49 F.599) CA:-1 60.3600 (C.232) CB:-1 43.5000 (C.311) CA 61.6600 (D.49 F.599) CB 44.3200 (F.5792) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 137 HETEROGENEITY 100 C:-1 169.4400 (A.193) HN 7.1700 (A.193 B.147 D.34 D.35 E.19 E.20 F.446 F.451) N 110.5500 (A.193 B.147 D.34 D.35 E.19 E.20 F.446 F.451) CA:0|-1 43.6000 (D.34 D.35 E.20 F.446) CB:0|-1 27.2800 (E.19 F.451) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 138 HETEROGENEITY 100 C:-1 169.7900 (A.192) HN 8.0000 (A.192 B.136) N 110.4600 (A.192 B.136) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 143 HETEROGENEITY 100 C:-1 169.5100 (A.196) HN 7.4500 (A.196 B.145 D.28 E.14 E.15 F.460 F.461) N 109.9100 (A.196 B.145 D.28 E.14 E.15 F.460 F.461) CA:0|-1 43.4800 (D.28 E.14 F.460) CB:0|-1 27.3900 (E.15 F.461) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 145 HETEROGENEITY 100 C:-1 169.5200 (A.197) HN 7.0200 (A.197 B.149 D.25 E.7 E.9 F.465 F.466 F.470) N 109.3000 (A.197 B.149 D.25 E.7 E.9 F.465 F.466 F.470) CA:0|-1 44.1900 (D.25 E.9 F.465) CB:0|-1 26.2700 (E.7 F.466) CA:0|-1 45.5900 (F.470) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 150 HETEROGENEITY 100 C:-1 168.3400 (A.198) HN 7.5400 (A.198 B.144 D.19) N 109.0200 (A.198 B.144 D.19) CA:0|-1 43.9700 (D.19) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 151 HETEROGENEITY 100 C:-1 169.8300 (A.200) HN 7.6700 (A.200 B.142 D.18 F.565) N 108.6900 (A.200 B.142 D.18 F.565) CA:0|-1 67.6200 (D.18) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 154 HETEROGENEITY 100 HN 6.7700 (B.163) N 123.1900 (B.163) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 155 HETEROGENEITY 100 HN 6.6900 (B.162) N 122.3300 (B.162) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 163 HETEROGENEITY 100 C:-1 170.7400 (A.178) HN 8.0400 (A.178 B.43 C.274 D.152 D.153 E.148) N 121.7500 (A.178 B.43 C.274 D.152 D.153 E.148) CA:-1 45.4400 (C.274 D.153) CA 55.2900 (D.152) CB 42.6800 (E.148) HA 4.3500 END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 169 HETEROGENEITY 100 HN 7.3800 (B.69) 7.3100 (B.71) N 110.2800 (B.69) N 110.2900 (B.71) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 172 HETEROGENEITY 100 HN 6.9000 (B.85) N 122.3300 (B.85) END_RES_DEF RES_ID * RES_TYPE SER PREV_TYPE GLU(19.3) CYS(17.6) GLN(17.5) ARG(15.9) HIS(13.0) \ HIH(6.7) TRP(6.0) SPIN_SYSTEM_ID 178 HETEROGENEITY 100 HN 8.5300 (B.103 C.289 C.290 E.67 E.225 F.326 F.332) N 117.9700 (B.103 C.289 C.290 E.67 E.225 F.326 F.332) CA:-1 55.7600 (C.289 E.67) CB:-1 29.7400 (C.290 E.225) HA:-1 4.7500 HB1|HB2:-1 3.2400 CA 58.5400 (F.326) CB 64.0300 (F.332) HA 4.5000 HB1|HB2 3.9400 HB1|HB2 3.8870 END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 185 HETEROGENEITY 100 C:-1 169.2800 (A.199) HN 7.3800 (A.199 B.146 D.20 E.5 E.4 F.471 F.473) N 109.0100 (A.199 B.146 D.20 E.5 E.4 F.471 F.473) CA:0|-1 43.5200 (D.20 E.5 F.471) CB:0|-1 28.6600 (E.4 F.473) END_RES_DEF RES_ID * RES_TYPE UNK SPIN_SYSTEM_ID 187 HETEROGENEITY 100 HN 7.1300 (B.148) N 108.2800 (B.148) END_RES_DEF RES_ID * RES_TYPE UNK PREV_TYPE GLN(19.1) GLU(18.7) CYS(17.7) ARG(15.1) HIS(12.3) \ HIH(8.1) TRP(5.3) SPIN_SYSTEM_ID 196 HETEROGENEITY 100 CA:-1 55.7000 (C.98 E.127) CB:-1 29.6200 (C.281) HN 8.7700 (C.281 C.98 E.127) N 120.7700 (C.281 C.98 E.127) END_RES_DEF RES_ID * RES_TYPE UNK PREV_TYPE GLN(21.5) CYS(19.4) GLU(17.3) HIH(12.0) ARG(11.9) \ HIS(9.9) TRP(5.4) SPIN_SYSTEM_ID 197 HETEROGENEITY 100 CA:-1 55.9900 (C.112) CB:-1 29.2400 (C.121) HN 8.5300 (C.112 C.121) N 120.2300 (C.112 C.121) END_RES_DEF RES_ID * RES_TYPE UNK PREV_TYPE GLN(19.7) GLU(18.3) CYS(17.3) ARG(15.0) HIS(12.5) \ HIH(8.4) TRP(5.0) SPIN_SYSTEM_ID 198 HETEROGENEITY 100 CA:-1 55.6000 (C.119 C.129 E.116) CB:-1 29.6200 (C.123 E.112) HN 8.7500 (C.119 C.123 C.129 E.112 E.116) N 120.0800 (C.119 C.123 C.129 E.112 E.116) END_RES_DEF RES_ID * RES_TYPE UNK PREV_TYPE GLN(20.0) GLU(18.0) CYS(16.9) ARG(15.1) HIS(12.8) \ HIH(8.5) SPIN_SYSTEM_ID 199 HETEROGENEITY 100 CA:-1 55.5100 (C.143 E.234) CB:-1 29.6400 (C.142 E.99 E.103) HN 8.6600 (C.142 C.143 E.99 E.234 E.103) N 119.5800 (C.142 C.143 E.99 E.234 E.103) END_RES_DEF RES_ID * RES_TYPE SER SPIN_SYSTEM_ID 200 HETEROGENEITY 100 CB:-1 43.6200 (C.221 E.38 F.22) CA:-1 57.1500 (D.235) HN 8.7400 (C.221 D.235 E.39 E.38 E.216 F.22) N 115.4900 (C.221 D.235 E.39 E.38 E.216 F.22) CA 58.3300 (E.39) CB 64.2700 (E.216) HA 4.6860 END_RES_DEF
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