NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
5670 |
1hry   |
cing | 1-original | 17 | PIPP | chemical shift |
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/cbcaconh cbcaconh_stapp 884
B hsqc.DAT HSQC_stapp 130
C ft/hnca hnca_stapp 294
D ft/cbcanh cbcanh_stapp 566
E n15noe n15noe 0
F n15noe sry_model 572
G ft2/c13c12noeds ft2/c13c12noeds 276
H ft/cnoe ft/cnoe 6
I noesyirr2.DAT noesyirr2.DAT 4
J ft/4dchnoe 4dchnoe139 4
K ft/4dchnoe 4dc13c13noe_3678 0
L ft/4dchnoe 4dchnoe_139 338
M ft/4dchnoe 4dchnoe_4078 127
N c13noe c13noe 0
O noesy11leftdec.DAT noesy11dec 0
P noesy11leftdec.DAT noesy11decflip 131
Q ft/n15noe sry_model_mflip 93
R /spree2/jhuth/sry/ft/c13noe 3dc13noe_mflip 284
S noesyirr180.DAT noesyirr180flip 0
T noesyirr2.DAT noesyirr2flip 114
U ft/4dchnoe 4dchnoe_139flip 168
V noesynoc185.DAT bentdnarnum 114
W ft/n15c12noe n15c12noe 0
X noesynoc752.DAT bentdna752 188
Y noe13cdec.DAT noe13cdec 0
RES_ID 3
RES_TYPE ASP
PREV_TYPE CYS(36.7) GLN(32.3) GLU(17.6) TRP(7.8) ARG(5.7)
SPIN_SYSTEM_ID 32
HETEROGENEITY 100
HN 8.4352 (A.404 A.405 D.100 D.99)
N 120.6879 (A.404 A.405 D.100 D.99)
CA 54.7602 (D.99 -L.1 -L.3 -L.2)
HA 4.6200 (-L.1 -L.3 -L.2)
CB 41.4980 (D.100 -J.1 -L.6)
HB1|2 2.6350 (-J.1 -L.6)
HB1|2 2.7090 (-L.6)
END_RES_DEF
RES_ID 4
RES_TYPE ARG
PREV_TYPE ASP(40.0) LEU(32.6) PHE(12.7) TYR(12.0)
SPIN_SYSTEM_ID 27
HETEROGENEITY 100
HN 8.2450 (A.311 A.312 D.92 D.91 D.90)
N 120.9950 (A.311 A.312 D.92 D.91 D.90)
CA 55.9900 (-L.21 -L.26)
HA 4.4060 (-F.4 -L.21 -L.26)
CB 31.3746 (D.92 -L.21 -L.28 -L.233 -G.122)
HB1|2 1.8200 (-L.21 -L.28 -L.233 -G.122)
CG 27.2200 (-L.28 -L.26 -L.184)
HG1|2 1.5860 (-F.1 -F.7 -L.28 -L.26 -L.184)
CD 43.3500 (-L.29 -L.233 -L.184)
HD1|2 3.1870 (-L.29 -L.233 -L.184)
HD1|2 3.2770
END_RES_DEF
RES_ID 5
RES_TYPE VAL
PREV_TYPE ARG(18.3) GLU(14.9) TRP(13.6) CYS(13.0) HIS(12.6) \
LYS(9.9) MET(9.8) GLN(6.8)
SPIN_SYSTEM_ID 7
HETEROGENEITY 100
HN \
8.2622 (A.274 A.275 B.7 C.12 C.13 D.32 D.31 D.34 D.33 -F.1 -F.4 -F.5 -F.6 -F.7 -F.8 -F.9)
N \
124.8363 (A.274 A.275 B.7 C.12 C.13 D.32 D.31 D.34 D.33 -F.1 -F.4 -F.5 -F.6 -F.7 -F.8 -F.9)
CA 62.7100 (C.12 D.34 -L.46)
HA 3.8300 (-F.5 -F.12 -L.46)
CB 32.1274 (D.32 -L.35 -L.36 -L.49 -L.43 -L.544 -R.511 -R.512 -R.513)
HB 1.8160 (-F.6 -L.35 -L.36 -L.49 -L.43 -L.544 -R.511 -R.512 -R.513)
CG1|2 21.3100 (-R.396 -R.400 -G.27)
HG1#|2# \
0.6560 (-F.8 -F.17 -L.35 -L.46 -L.47 -L.48 -L.49 -R.512 -R.396 -R.400)
CG1|2 21.2800 (-L.35 -L.36 -L.46 -L.47 -L.48 -L.49 -G.27)
HG1#|2# 0.2510 (-F.9 -F.18 -L.36 -L.48 -G.27 -R.511)
END_RES_DEF
RES_ID 6
RES_TYPE LYS
PREV_TYPE PRO(52.1) VAL(47.9)
SPIN_SYSTEM_ID 1
HETEROGENEITY 100
HN \
8.2601 (A.261 A.262 B.1 C.2 C.1 D.3 D.4 D.1 D.2 -F.10 -F.11 -F.12 -F.13 -F.14 -F.16 -F.17 -F.18)
N \
127.3943 (A.261 A.262 B.1 C.2 C.1 D.3 D.4 D.1 D.2 -F.10 -F.11 -F.12 -F.13 -F.14 -F.16 -F.17 -F.18)
CA 56.3060
HA 4.4530 (-F.11 -F.19)
CB 34.6584 (-G.96 -U.1008)
HB1|2 1.7540 (-F.13 -G.96)
HB1|2 1.5800 (-U.1008)
CG 26.1900 (-L.54 -L.55 -G.16 -G.15 -G.17 -G.18)
HG1|2 1.5940 (-F.14 -F.16 -L.54 -L.55 -G.16 -G.15 -G.17 -G.18)
CD 29.6600 (-L.64)
HD1|2 1.8720 (-L.64)
CE 42.1600 (-L.55 -L.64 -L.73 -L.74 -L.75 -G.55)
HE1|2 3.0960 (-L.55 -L.64 -L.73 -L.74 -L.75 -G.55)
HE1|2 3.1500
END_RES_DEF
RES_ID 7
RES_TYPE ARG
PREV_TYPE LYS(41.1) TRP(21.7) MET(19.6) ARG(7.0) GLU(5.7)
SPIN_SYSTEM_ID 34
HETEROGENEITY 100
HN 7.6260 (A.323 A.324 B.41 D.113 D.116 D.123 D.124 -F.10 -F.19 -F.21)
N 120.2770 (A.323 A.324 B.41 D.113 D.116 D.123 D.124 -F.19 -F.21)
CA 55.1730 (D.116)
HA 4.0690
CB 29.5155 (D.123 -U.1008 -G.198 -G.199)
HB1|2 1.7310 (-F.21 -U.1008 -G.198 -G.199)
CG 27.3300 (-L.442 -L.183 -L.511 -L.527 -G.204 -G.135)
HG1|2 1.6660 (-L.442 -L.183 -L.511 -L.527 -G.204 -G.135)
CD 43.1200
HD1|2 3.2580
END_RES_DEF
RES_ID 8
RES_TYPE PRO
SPIN_SYSTEM_ID 98
HETEROGENEITY 100
CA 61.9300
HA 4.3970 (-F.23)
CB 31.5700 (-L.183)
HB1|2 1.8780 (-F.28)
HB1|2 1.8190 (-L.183)
CG 27.1500
HG1|2 1.6970
CD 49.4600
HD1|2 3.3500 (-R.467)
HD1|2 3.4900
END_RES_DEF
RES_ID 9
RES_TYPE MET
PREV_TYPE VAL(44.4) PRO(40.6) TRP(8.1) LYS(7.0)
SPIN_SYSTEM_ID 38
HETEROGENEITY 100
HN \
7.8648 (A.333 A.334 B.35 C.65 C.64 D.128 D.127 D.126 D.129 -F.23 -F.24 -F.25 -F.27 -F.28)
N \
119.8378 (A.333 A.334 B.35 C.65 C.64 D.128 D.127 D.126 D.129 -F.23 -F.24 -F.25 -F.27 -F.28)
CA 56.6660 (C.64 D.126 -G.121)
HA 4.2010 (-F.24 -F.33 -G.90 -G.121)
CB 36.4899 (D.127 -M.2348)
HB1|2 1.9330 (-M.2348)
CG 33.0990 (-U.834)
HG1|2 2.6360 (-F.25 -U.834)
HG1|2 2.5650
CE 17.43
HE# 2.06
END_RES_DEF
RES_ID 10
RES_TYPE ASN
PREV_TYPE ASN(47.0) LYS(15.4) TYR(13.1) PHE(11.4) MET(7.0) \
TRP(6.0)
SPIN_SYSTEM_ID 45
HETEROGENEITY 100
HN \
8.1931 (A.346 A.347 B.42 C.78 C.79 D.147 D.154 D.150 D.151 -F.33 -Q.651 -Q.654 -P.135)
N \
119.0056 (A.346 A.347 B.42 C.78 C.79 D.147 D.154 D.150 D.151 -F.33 -Q.651 -Q.654)
CA 51.4770 (C.79 D.150)
HA 5.0380 (-R.546)
CB 38.3462 (-R.546 -G.77 -G.79 -G.81)
HB1|2 3.1950 (-Q.654 -G.77 -G.79 -G.81)
HB1|2 2.9660 (-R.546)
ND2 116.4500
HD21|2 6.8900
HD21|2 7.4300
END_RES_DEF
RES_ID 11
RES_TYPE ALA
PREV_TYPE ASN(93.1) ASP(6.9)
SPIN_SYSTEM_ID 54
HETEROGENEITY 100
HN \
8.6381 (A.364 A.365 B.45 C.98 C.97 D.182 D.183 D.184 -F.37 -F.40 -F.43 -F.44)
N 117.2900 (A.364 A.365 B.45 C.98 C.97 D.182 D.183 D.184 -F.37 -F.40 -F.43)
CA 56.2380 (C.97 D.184 -M.2354 -R.461 -R.463)
HA 3.5520 (-F.40 -M.2354 -Q.763 -Q.62 -R.440 -R.461 -R.463 -R.483)
CB \
19.6349 (-L.436 -G.29 -G.30 -R.480 -R.482 -R.483 -R.484 -R.485 -R.486 -R.487 -G.176)
HB# \
0.6630 (-F.43 -F.49 -L.436 -G.29 -G.30 -R.461 -R.62 -R.480 -R.482 -R.483 -R.484 -R.485 -R.486 -R.487 -G.176)
END_RES_DEF
RES_ID 12
RES_TYPE PHE
PREV_TYPE ALA(100.0)
SPIN_SYSTEM_ID 71
HETEROGENEITY 100
HN \
7.2029 (A.398 A.399 B.67 C.125 C.126 D.239 D.238 D.237 -F.37 -F.44 -F.45 -F.46 -F.48 -F.49 -F.52 -P.115 -T.21)
N \
113.5299 (A.398 A.399 B.67 C.125 C.126 D.239 D.238 D.237 -F.44 -F.45 -F.46 -F.48 -F.49)
CA 59.8590 (C.125 D.237)
HA 2.6110 (-F.46 -F.72 -P.123 -P.121)
CB 38.4313 (D.238 -G.82)
HB1|2 1.6710 (-F.48 -G.82 -Q.651 -R.371)
HB1|2 1.6300 (-G.82 -P.39)
CD1 123.6600 (-U.918 -R.62 -R.472 -R.479)
HD1 \
6.5900 (-U.918 -R.62 -R.472 -R.479 -R.485 -R.527 -P.79 -P.12 -T.31 -T.36 -T.51 -T.74)
CE1 122.4300
HE1 5.5400 (-P.15 -T.51)
END_RES_DEF
RES_ID 13
RES_TYPE ILE
PREV_TYPE TYR(34.8) PHE(33.6) ILE(28.5)
SPIN_SYSTEM_ID 10
HETEROGENEITY 100
HN \
7.6703 (A.280 A.281 B.12 C.21 D.42 D.43 -F.45 -F.51 -F.52 -F.53 -F.55 -F.56 -F.57 -F.58 -F.59 -F.60 -T.21)
N \
123.2709 (A.280 A.281 B.12 C.21 D.42 D.43 -F.51 -F.52 -F.53 -F.55 -F.56 -F.57 -F.58 -F.59)
CA 61.3880 (C.21 D.43 -U.674 -R.475 -R.488)
HA 2.8370 (-F.53 -P.120 -U.674 -R.475 -R.488 -R.501)
CB 34.2177
HB 1.7670 (-F.55 -F.64 -R.450 -R.500 -V.467)
CG1 25.9200 (-G.19 -G.21 -R.509)
HG11|2 1.1530 (-F.56 -F.65 -G.19 -R.454 -R.499)
HG11|2 0.6740 (-F.57 -G.21 -R.490 -R.509)
CG2 \
17.5400 (-G.59 -G.60 -G.61 -G.62 -G.63 -G.64 -G.52 -U.918 -R.450 -R.454 -R.455 -R.457 -G.186)
HG2# \
0.2260 (-F.58 -F.67 -G.59 -G.60 -G.61 -G.62 -G.63 -G.64 -G.52 -U.918 -R.450 -R.454 -R.455 -R.457 -R.488 -R.498 -G.186 -T.70)
CD 5.4600 (-G.1 -G.2 -H.12 -H.13 -R.490 -R.498 -R.499 -R.500 -R.501)
HD11 \
-1.0300 (-F.59 -G.1 -G.2 -H.12 -H.13 -I.1 -I.2 -R.457 -R.475 -R.490 -R.498 -R.499 -R.500 -R.501 -R.509 -P.135 -P.134 -P.136 -P.137)
END_RES_DEF
RES_ID 14
RES_TYPE VAL
PREV_TYPE VAL(49.8) PRO(47.3)
SPIN_SYSTEM_ID 48
HETEROGENEITY 100
HN \
8.3823 (A.352 A.353 B.43 C.84 C.83 D.158 D.157 D.159 -F.51 -F.60 -F.61 -F.63 -F.64 -F.65 -F.66 -F.67 -F.68 -Q.62 -P.134)
N \
118.3727 (A.352 A.353 B.43 C.84 C.83 D.158 D.157 D.159 -F.60 -F.61 -F.63 -F.64 -F.65 -F.66 -F.67 -Q.62)
CA 67.0710 (C.84 D.157 -M.2352 -U.335 -U.135)
HA 3.3710 (-F.61 -F.70 -F.92 -M.82 -M.2352 -U.335 -U.135)
CB 32.2972 (D.158 D.159 -M.2353 -U.336 -U.138 -U.921)
HB 2.1840 (-F.63 -F.74 -M.2353 -U.336 -U.138 -U.921)
CG1|2 22.3000 (-U.142 -U.840 -U.839 -R.130 -R.129 -R.132 -R.133 -U.990)
HG1#|2# 1.1710 (-U.142 -U.839 -R.130 -R.129 -R.132 -R.133 -U.990)
CG1|2 \
23.8600 (-M.2332 -M.2348 -M.2351 -M.2352 -M.2353 -M.2354 -U.336 -U.335 -U.841 -U.408 -U.337 -U.990)
HG1#|2# \
0.9310 (-F.66 -F.76 -M.2332 -M.2348 -M.2351 -M.2352 -M.2353 -M.2354 -U.336 -U.335 -U.840 -U.841 -U.408 -U.337 -R.455 -U.990 -P.41)
END_RES_DEF
RES_ID 15
RES_TYPE TRP
PREV_TYPE PRO(64.2) VAL(35.8)
SPIN_SYSTEM_ID 30
HETEROGENEITY 100
HN \
7.7341 (A.317 A.318 B.33 C.53 C.52 D.104 D.103 -F.68 -F.69 -F.70 -F.71 -F.72 -F.74 -F.76 -F.77)
N \
120.6221 (A.317 A.318 B.33 C.53 C.52 D.104 D.103 -F.68 -F.69 -F.70 -F.71 -F.72 -F.74 -F.76)
CA 61.0650 (C.52 D.103)
HA 3.6500 (-F.69 -F.81 -R.133 -R.67)
CB 29.6379 (D.104)
HB1|2 2.7940 (-F.71 -P.33 -R.68)
CD1 128.0000 (-R.67 -R.68)
HD1 5.7700 (-R.67 -R.68)
NE1 109.6063
HE1 \
10.2400 (-P.80 -P.13 -P.15 -P.8 -P.81 -P.10 -P.12 -P.123 -P.40 -P.41 -P.47)
CE3 124.9500
HE3 7.3000
CZ3 114.7200 (-U.958 -U.959 -U.966)
HZ3 7.5700 (-P.2 -T.17 -U.958 -U.959 -U.966 -R.219 -T.27 -T.31)
CZ2 121.1800
HZ2 7.7600 (-T.10 -T.13 -R.449 -R.503)
CH2 122.2900 (-U.603)
HH2 7.2200 (-T.28 -U.603 -T.96)
END_RES_DEF
RES_ID 16
RES_TYPE SER
SPIN_SYSTEM_ID 88
HETEROGENEITY 100
N \
111.1906 (B.71 C.129 D.248 D.249 D.251 -F.77 -F.78 -F.80 -F.81 -F.83 -Q.85 -Q.82)
HN \
8.4276 (B.71 C.129 D.248 D.249 D.251 -F.77 -F.78 -F.80 -F.81 -F.83 -F.88 -Q.85 -Q.82 -T.95)
CA 61.2730 (C.129 D.248)
HA 4.3680 (-F.80 -F.90)
CB 63.0930 (D.249)
HB1|2 2.8860 (-F.83 -F.94)
HB1|2 2.6900
END_RES_DEF
RES_ID 17
RES_TYPE ARG
PREV_TYPE SER(100.0)
SPIN_SYSTEM_ID 15
HETEROGENEITY 100
HN \
7.2627 (A.289 A.290 B.16 C.28 C.27 D.62 D.61 -F.78 -F.88 -F.89 -F.90 -F.91 -F.92 -F.93 -F.94 -F.95 -F.97 -F.99)
N \
121.9180 (A.289 A.290 B.16 C.28 C.27 D.62 D.61 -F.88 -F.89 -F.90 -F.91 -F.92 -F.93 -F.94 -F.95 -F.97)
CA 60.7210 (C.27 D.61 -U.887 -G.92 -G.93)
HA 3.7320 (-F.91 -U.887 -G.92 -G.93)
CB 30.0250 (D.62 -L.449)
HB1|2 1.8550 (-F.95 -F.104 -L.449)
CG 27.3300 (-U.138)
HG1|2 1.5850 (-F.97 -U.138)
CD 44.2800 (-G.28)
HD1|2 3.1730 (-F.93 -G.28)
END_RES_DEF
RES_ID 18
RES_TYPE ASP
PREV_TYPE TRP(43.8) GLU(15.0) ARG(15.0) CYS(11.3) VAL(5.5)
SPIN_SYSTEM_ID 65
HETEROGENEITY 100
HN \
7.6658 (A.386 A.387 B.62 C.113 C.114 D.215 D.216 D.219 -F.89 -F.98 -F.99 -F.100 -F.103 -F.104 -F.106)
N \
115.4826 (A.386 A.387 B.62 C.113 C.114 D.215 D.216 D.219 -F.98 -F.99 -F.100 -F.103 -F.104)
CA 56.0720 (C.113 D.216)
HA 4.5810 (-F.100 -F.108 -F.131 -F.139 -R.405)
CB 41.0544 (D.215)
HB1|2 2.5730 (-F.103 -F.111 -Q.142)
END_RES_DEF
RES_ID 19
RES_TYPE GLN
PREV_TYPE ASP(29.6) PHE(26.4) TYR(25.3) LEU(18.7)
SPIN_SYSTEM_ID 53
HETEROGENEITY 100
HN \
6.7159 (A.362 A.363 B.48 C.93 C.94 D.172 D.179 D.178 D.181 D.180 -F.98 -F.106 -F.107 -F.108 -F.109 -F.111 -F.113 -F.114 -F.115 -F.116 -F.117 -T.95)
N \
117.4625 (A.362 A.363 B.48 C.93 C.94 D.172 D.179 D.178 D.181 D.180 -F.106 -F.107 -F.108 -F.109 -F.111 -F.113 -F.114 -F.115 -F.116)
CA 57.2770 (C.93 D.181 -G.115)
HA 3.7730 (-F.109 -F.119 -F.140 -G.115)
CB 28.1604 (D.178)
HB1|2 1.3800 (-F.114 -F.125)
HB1|2 0.7330 (-F.115 -F.126)
CG 31.4470
HG1|2 0.9550 (-F.116 -Q.148 -Q.249)
HG1|2 1.5260 (-F.113 -P.40)
NE2 111.2400
HE21|2 7.0270 (-P.10 -T.23)
HE21|2 6.6240
END_RES_DEF
RES_ID 20
RES_TYPE ARG
PREV_TYPE GLN(26.6) CYS(23.0) HIH(21.2) GLU(12.6) ARG(7.0) \
TRP(6.4)
SPIN_SYSTEM_ID 37
HETEROGENEITY 100
HN \
8.4480 (A.328 A.329 B.25 C.62 C.63 D.121 D.122 D.119 D.120 -F.107 -F.117 -F.118 -F.119 -F.120 -F.122 -F.123 -F.125 -F.126 -F.129 -F.138)
N \
120.1333 (A.328 A.329 B.25 C.62 C.63 D.121 D.122 D.119 D.120 -F.117 -F.118 -F.119 -F.120 -F.122 -F.123 -F.125 -F.126)
CA 60.3410 (C.62 D.119 -L.502)
HA 3.6010 (-F.120 -F.132 -F.153 -F.166 -L.502 -R.443)
CB 30.6022 (D.121 -L.425)
HB1|2 1.7740 (-F.123 -F.134 -Q.169)
HB1|2 1.8860 (-F.122 -L.425)
CG 27.0220 (-U.470 -G.134)
HG1|2 1.5980 (-U.470 -G.134)
CD 43.5700 (-U.135)
HD1|2 3.2000
HD1|2 3.2730 (-U.135 -Q.82)
END_RES_DEF
RES_ID 21
RES_TYPE ARG
PREV_TYPE TRP(36.8) ARG(17.5) GLU(13.4) LYS(11.3) VAL(6.4) \
CYS(5.9)
SPIN_SYSTEM_ID 61
HETEROGENEITY 100
HN \
7.1846 (A.378 A.379 B.54 C.108 C.107 D.205 D.204 D.203 -F.118 -F.128 -F.129 -F.130 -F.131 -F.132 -F.133 -F.134 -F.137)
N \
116.4903 (A.378 A.379 B.54 C.108 C.107 D.205 D.204 D.203 -F.128 -F.129 -F.130 -F.131 -F.132 -F.133 -F.134)
CA 59.3860 (C.107 D.203 -M.2342 -U.848)
HA 3.9230 (-F.130 -M.2342 -U.848)
CB 29.9402 (D.205)
HB1|2 1.9080 (-F.133 -F.144)
CG 27.3900
HG1|2 1.6420
CD 43.1200
HD1|2 3.2470
END_RES_DEF
RES_ID 22
RES_TYPE LYS
PREV_TYPE ARG(26.1) GLU(23.0) TRP(22.9) CYS(11.9) HIS(5.4) \
GLN(5.2)
SPIN_SYSTEM_ID 47
HETEROGENEITY 100
HN \
7.3031 (A.350 A.351 B.46 C.82 D.155 D.156 -F.128 -F.136 -F.137 -F.138 -F.139 -F.140 -F.141 -F.143 -F.144 -F.146 -F.147 -F.149 -Q.142 -Q.148)
N \
118.5753 (A.350 A.351 B.46 C.82 D.155 D.156 -F.136 -F.137 -F.138 -F.139 -F.140 -F.141 -F.143 -F.144 -F.146 -F.147 -Q.142 -Q.148)
CA 59.6450 (C.82 D.155 -M.2339)
HA 3.9330 (-F.141 -F.177 -M.2339)
CB 32.8096 (D.156 -L.39 -L.40 -L.38)
HB1|2 1.7950 (-F.143 -F.157 -L.39 -L.40 -L.38)
CG 24.9900 (-G.23)
HG1|2 1.3050 (-F.147 -F.159 -G.23)
HG1|2 1.4870 (-F.146)
CD 29.2800
HD1|2 1.6300
CE 41.8600 (-L.313 -L.39)
HE1|2 2.9740 (-L.313 -L.39)
END_RES_DEF
RES_ID 23
RES_TYPE MET
PREV_TYPE LYS(45.1) MET(19.9) VAL(19.6) PRO(9.9) TRP(5.6)
SPIN_SYSTEM_ID 50
HETEROGENEITY 100
HN \
8.1410 (A.356 A.357 B.50 C.89 C.88 D.169 D.165 -F.136 -F.149 -F.150 -F.153 -F.154 -F.156 -F.157 -F.159)
N \
117.5892 (A.356 A.357 B.50 C.89 C.88 D.169 D.165 -F.149 -F.150 -F.153 -F.154 -F.156 -F.157 -F.159)
CA 58.9230 (C.88 -L.455 -U.279 -U.366 -U.856)
HA 4.1270 (-F.150 -L.455 -U.279 -U.366 -U.856 -R.528)
CB 32.9100
HB1|2 1.9250 (-F.156)
CG \
32.3500 (-L.435 -M.2310 -M.961 -M.2327 -M.2329 -M.957 -M.2332 -M.2333 -U.638 -U.640)
HG1|2 2.5940 (-F.154 -M.2310 -M.961 -Q.244)
HG1|2 2.6430 (-L.435 -M.2327 -M.2329 -M.957 -M.2332 -M.2333 -U.638 -U.640)
CE 17.4400 (-L.333 -L.435 -L.436 -L.437 -L.506 -L.38 -U.828 -U.307)
HE# 2.0800 (-L.333 -L.435 -L.436 -L.437 -L.506 -L.38 -U.828 -U.307 -Q.765)
END_RES_DEF
RES_ID 24
RES_TYPE ALA
PREV_TYPE LYS(40.4) MET(33.8) TRP(8.3) VAL(8.3)
SPIN_SYSTEM_ID 26
HETEROGENEITY 100
HN \
8.0764 (A.309 A.310 B.28 C.45 C.44 D.84 D.87 D.263 -F.162 -F.164 -F.166 -F.171 -F.174 -Q.169)
N \
120.9694 (A.309 A.310 B.28 C.45 C.44 D.84 D.87 D.263 -F.162 -F.164 -F.166 -F.171 -Q.169)
CA 54.7580 (C.44 D.87)
HA 4.0580 (-F.164)
CB 19.0518 (D.84 -L.448 -L.385 -G.32 -G.139 -G.149 -G.150)
HB# 1.4360 (-F.171 -F.181 -L.448 -L.385 -G.32 -G.139 -G.149 -G.150)
END_RES_DEF
RES_ID 25
RES_TYPE LEU
PREV_TYPE ALA(100.0)
SPIN_SYSTEM_ID 56
HETEROGENEITY 100
HN \
7.5859 (A.368 A.369 C.99 D.191 D.188 D.187 D.189 -F.162 -F.174 -F.176 -F.177 -F.180 -F.179 -F.181 -F.183)
N \
117.1586 (A.368 A.369 C.99 D.191 D.188 D.187 D.189 -F.174 -F.176 -F.177 -F.180 -F.179 -F.181 -F.183)
CA 57.2768 (D.191 -L.319 -L.326 -M.2341)
HA 4.0660 (-F.176 -L.319 -L.326 -M.2341 -R.529 -R.528)
CB \
42.3981 (D.188 -L.313 -L.319 -L.322 -L.323 -L.40 -M.2336 -M.2337 -M.2344 -M.2345 -R.528 -R.529)
HB1|2 1.8570 (-F.179 -L.313 -L.323 -M.2336 -M.2344 -R.529)
HB1|2 \
1.6370 (-F.180 -F.105 -L.319 -L.322 -L.323 -L.40 -M.2337 -M.2345 -R.528)
CG 27.0700 (-L.325 -L.326 -L.327 -L.329 -M.2335 -M.2343)
HG 1.7800 (-L.325 -L.326 -L.327 -L.329 -M.2335 -M.2343)
CD1|2 \
23.5600 (-L.322 -L.327 -L.333 -M.2341 -M.2342 -M.2343 -M.2344 -M.2345 -U.638)
HD1#|2# 0.9010 (-F.183 -F.190 -L.322 -L.327 -L.333 -U.638)
CD1|2 24.9300 (-M.2335 -M.2336 -M.2337 -M.2339 -U.848)
HD1#|2# \
0.9000 (-M.2335 -M.2336 -M.2337 -M.2339 -M.2341 -M.2342 -M.2343 -M.2344 -M.2345 -U.848)
END_RES_DEF
RES_ID 26
RES_TYPE GLU
PREV_TYPE LEU(45.0) PHE(20.5) TYR(19.2) ASP(8.9) ILE(6.3)
SPIN_SYSTEM_ID 62
HETEROGENEITY 100
HN \
7.6686 (A.380 A.381 B.58 C.109 D.208 D.209 D.210 -F.185 -F.187 -F.188 -F.189 -F.105 -F.190)
N \
115.9395 (A.380 A.381 B.58 C.109 D.208 D.209 D.210 -F.185 -F.187 -F.188 -F.189 -F.105 -F.190)
CA 57.7700 (C.109 D.210)
HA 4.1300 (-F.185)
CB 30.8189 (D.208 -L.329)
HB1|2 2.0680 (-F.189)
HB1|2 1.9380 (-L.329)
CG 36.8200 (-U.366 -U.858 -U.856)
HG1|2 2.2610 (-F.188 -U.856)
HG1|2 2.5000 (-F.187 -U.366 -U.858)
END_RES_DEF
RES_ID 27
RES_TYPE ASN
PREV_TYPE TRP(25.3) HIS(17.9) ARG(16.8) GLU(12.4) MET(8.8) \
LYS(8.2) CYS(7.8)
SPIN_SYSTEM_ID 69
HETEROGENEITY 100
HN \
7.6222 (A.392 A.393 B.65 C.122 C.121 D.226 D.234 D.232 D.233 -F.191 -F.196 -F.197 -Q.195)
N \
114.9089 (A.392 A.393 B.65 C.122 C.121 D.226 D.234 D.232 D.233 -F.191 -F.196 -F.197 -Q.195)
CA 51.0730 (C.122 D.233 -R.421 -R.427 -R.428 -R.534 -R.535 -R.536)
HA 5.1890 (-F.191 -R.421 -R.427 -R.428 -R.534 -R.535 -R.536)
CB 40.4239 (D.234)
HB1|2 2.5910 (-F.197 -R.535)
HB1|2 2.9170 (-F.196 -R.421 -R.428)
ND2 115.8400
HD21|2 7.7100
HD21|2 7.3440
END_RES_DEF
RES_ID 28
RES_TYPE PRO
SPIN_SYSTEM_ID 99
HETEROGENEITY 100
CA 64.7800 (-U.642)
HA 4.6190 (-F.209 -U.642)
CB 32.5100 (-L.385)
HB1|2 2.4200
HB1|2 1.9480 (-L.385)
CG 27.4400 (-M.961 -U.288)
HG1|2 2.0580 (-M.961 -U.288 -R.536)
CD 50.3900
HD1|2 3.6680 (-R.427)
HD1|2 3.4400 (-Q.195 -R.534)
END_RES_DEF
RES_ID 29
RES_TYPE ARG
PREV_TYPE VAL(57.1) PRO(42.9)
SPIN_SYSTEM_ID 66
HETEROGENEITY 100
HN \
8.2671 (A.388 A.389 B.61 C.118 C.117 D.221 D.220 D.223 D.222 -F.198 -F.200 -F.204 -F.205 -F.207)
N \
115.2354 (A.388 A.389 B.61 C.118 C.117 D.221 D.220 D.223 D.222 -F.198 -F.200 -F.204 -F.205)
CA 55.8590 (C.117 D.222 -L.26)
HA 4.3390 (-F.200 -F.210 -L.26)
CB 30.0385 (D.220 -M.2333 -G.132)
HB1|2 1.7890 (-F.205 -F.215 -G.132)
HB1|2 1.9870 (-F.204 -M.2333)
CG 27.6000 (-L.108 -L.26)
HG1|2 1.6610 (-L.108 -L.26)
CD 43.3400 (-L.108 -L.421)
HD1|2 3.2360 (-L.108 -L.421)
END_RES_DEF
RES_ID 30
RES_TYPE MET
PREV_TYPE GLU(20.0) CYS(17.4) ARG(17.4) GLN(14.5) HIS(13.9) \
TRP(7.3)
SPIN_SYSTEM_ID 23
HETEROGENEITY 100
HN \
7.5766 (A.303 A.304 B.32 C.41 C.40 D.82 D.83 -F.198 -F.207 -F.208 -F.209 -F.210 -F.211 -F.213 -F.214 -F.215 -F.218)
N \
121.0635 (A.303 A.304 B.32 C.41 C.40 D.82 D.83 -F.207 -F.208 -F.209 -F.210 -F.211 -F.213 -F.214 -F.215)
CA 56.8920 (C.40 D.83 -L.325)
HA 4.2370 (-F.211 -F.220 -L.325)
CB 34.6478 (D.82 -L.425)
HB1|2 2.0390 (-F.214 -F.225 -L.425)
CG 33.2977 (-U.858 -U.642 -U.288)
HG1|2 2.5520 (-F.213 -F.222 -U.642 -U.288)
HG1|2 2.6320 (-U.858)
CE 17.3600 (-L.437 -G.58 -U.933)
HE# 2.0400 (-L.437 -G.58 -U.933)
END_RES_DEF
RES_ID 31
RES_TYPE ARG
PREV_TYPE LYS(43.7) TRP(25.3) MET(20.4) ARG(6.0)
SPIN_SYSTEM_ID 8
HETEROGENEITY 100
HN \
8.8053 (A.276 A.277 B.9 C.16 C.15 D.35 D.36 D.37 -F.208 -F.218 -F.220 -F.221 -F.222 -F.225)
N \
124.0065 (A.276 A.277 B.9 C.16 C.15 D.35 D.36 D.37 -F.218 -F.220 -F.221 -F.222 -F.225)
CA 56.0130 (C.15 D.37)
HA 4.3430 (-F.221)
CB 31.3613 (D.35)
HB1|2 2.1210
HB1|2 1.7000 (-Q.247)
CG 27.3000 (-L.27)
HG1|2 1.6460 (-L.27)
CD 43.3300 (-L.27 -L.421)
HD1|2 3.2300 (-L.27 -L.421)
END_RES_DEF
RES_ID 33
RES_TYPE SER
SPIN_SYSTEM_ID 96
HETEROGENEITY 100
N 125.3900
HN 7.9700 (-T.7)
HA 4.6900
CB 61.8700
HB1|2 4.0800
HB1|2 4.2000
END_RES_DEF
RES_ID 34
RES_TYPE GLU
SPIN_SYSTEM_ID 13
HETEROGENEITY 100
HN \
6.8770 (A.286 B.14 C.26 C.25 D.55 D.56 -F.232 -F.234 -F.235 -F.236 -F.240 -Q.234)
N \
122.1386 (A.286 B.14 C.26 C.25 D.55 D.56 -F.232 -F.234 -F.235 -F.236 -Q.234)
CA 58.6900 (C.25 D.56 -L.450)
HA 4.1750 (-F.234 -L.450)
CB 29.8902 (D.55 -L.290 -L.450 -L.451 -L.455 -L.534)
HB1|2 2.3350 (-F.235 -L.450 -L.451)
HB1|2 2.2420 (-F.236 -L.290 -L.455 -L.534)
CG 36.8600 (-L.451 -L.535 -U.887 -U.978)
HG1|2 2.4240 (-L.451 -L.535 -U.887 -U.978)
END_RES_DEF
RES_ID 35
RES_TYPE ILE
PREV_TYPE ARG(25.0) TRP(21.2) GLU(20.4) CYS(11.9) HIS(11.4) \
GLN(5.2)
SPIN_SYSTEM_ID 21
HETEROGENEITY 100
HN \
8.1449 (A.299 A.300 B.19 C.35 C.34 D.73 D.74 D.76 D.75 -F.232 -F.239 -F.240 -F.243 -F.245 -F.250 -Q.249 -Q.248 -Q.765 -Q.244 -Q.241 -Q.247 -T.3)
N \
121.4568 (A.299 A.300 B.19 C.35 C.34 D.73 D.74 D.76 D.75 -F.239 -F.240 -F.243 -F.245 -Q.249 -Q.248 -Q.765 -Q.244 -Q.241 -Q.247)
CA 66.0380 (C.35 D.76 -U.645)
HA 3.7590 (-F.243 -F.256 -F.277 -U.645 -R.444 -P.26)
CB 37.6705 (D.74 -U.279 -U.640 -U.1006)
HB 2.2120 (-F.245 -F.257 -U.279 -U.640 -U.1006)
CG2 17.8900 (-G.51 -U.470 -R.443 -R.444)
HG2# 1.0540 (-G.51 -U.470 -Q.248 -R.443 -R.444)
CD 12.5400 (-G.84 -G.85)
HD11 0.9340 (-G.84 -G.85 -T.118)
END_RES_DEF
RES_ID 36
RES_TYPE SER
PREV_TYPE ILE(100.0)
SPIN_SYSTEM_ID 70
HETEROGENEITY 100
HN \
8.0142 (A.396 A.397 B.66 C.124 C.123 D.235 D.236 -F.239 -F.250 -F.251 -F.254 -F.255 -F.256 -F.257 -F.262 -Q.258 -T.7)
N \
114.2067 (A.396 A.397 B.66 C.124 C.123 D.235 D.236 -F.250 -F.251 -F.254 -F.255 -F.256 -F.257 -Q.258)
CA 63.0000 (C.123 D.236 -G.80 -G.75 -L.489 -L.490)
HA 4.2770 (-F.254 -F.264 -G.80 -G.75 -L.489 -L.490 -Q.241)
CB 63.0400 (-G.74 -L.492)
HB1|2 4.1670 (-F.255 -F.263 -G.74 -L.492 -Q.234)
END_RES_DEF
RES_ID 37
RES_TYPE LYS
SPIN_SYSTEM_ID 43
HETEROGENEITY 100
HN \
7.4904 (A.343 B.36 C.74 C.136 D.144 D.145 -F.251 -F.261 -F.262 -F.263 -F.264 -F.265 -F.267 -F.268 -F.269 -F.270 -F.272 -Q.271 -Q.266)
N \
119.2125 (A.343 B.36 C.74 C.136 D.144 D.145 -F.261 -F.262 -F.263 -F.264 -F.265 -F.267 -F.268 -F.269 -F.270 -Q.271 -Q.266)
CA 60.4630 (C.74 D.145 -L.501 -L.502 -G.94 -G.95)
HA 3.8510 (-F.265 -F.276 -L.501 -L.502 -G.94 -G.95)
CB 32.7795 (D.144 -L.506 -M.957 -U.933 -U.978 -G.106)
HB1|2 2.1180 (-F.267 -F.284 -L.506 -M.957 -U.933 -G.106)
HB1|2 1.9400 (-F.268 -F.285 -Q.307 -U.978)
CG 25.9800
HG1|2 1.5990 (-F.270)
CD 30.2000 (-L.501 -L.536 -G.3)
HD1|2 1.7990 (-F.269 -F.286 -L.501 -L.536 -Q.258 -Q.271 -G.3)
HE1|2 3.0190
END_RES_DEF
RES_ID 38
RES_TYPE GLN
PREV_TYPE VAL(35.7) LYS(31.1) PRO(22.4) MET(7.3)
SPIN_SYSTEM_ID 46
HETEROGENEITY 100
HN \
8.2396 (A.348 A.349 B.37 C.76 C.77 D.146 D.148 D.152 -F.261 -F.272 -F.274 -F.275 -F.276 -F.277 -F.278 -F.281 -F.282 -F.283 -F.284 -F.285 -F.286 -F.288 -T.1 -T.3)
N \
118.9273 (A.348 A.349 B.37 C.76 C.77 D.146 D.148 D.152 -F.272 -F.274 -F.275 -F.276 -F.277 -F.278 -F.281 -F.282 -F.283 -F.284 -F.285 -F.286)
CA 58.9030 (C.77 D.152 -L.448 -L.529 -R.221 -G.99)
HA 4.2170 (-F.275 -F.290 -L.448 -L.529 -R.221 -G.99)
CB 28.2377 (D.148 -M.62 -L.529 -L.530 -L.533 -U.1006)
HB1|2 2.2860 (-F.283 -F.292 -M.62 -L.533 -Q.266 -U.1006)
HB1|2 2.3400 (-F.291 -M.62 -L.529 -L.530 -L.533)
CG 33.6800 (-L.290 -U.828 -U.307 -U.645)
HG1|2 2.5290 (-F.281 -L.290)
HG1|2 2.6330 (-F.278 -F.282 -U.828 -U.307 -U.645)
NE2 111.5600
HE21|2 7.6040
HE21|2 6.8100
END_RES_DEF
RES_ID 39
RES_TYPE LEU
PREV_TYPE GLN(33.6) CYS(27.3) GLU(18.2) ARG(8.1) TRP(7.7)
SPIN_SYSTEM_ID 40
HETEROGENEITY 100
HN \
8.8524 (A.337 A.338 B.24 C.68 D.134 D.135 D.136 -F.274 -F.287 -F.288 -F.289 -F.290 -F.291 -F.292 -Q.293)
N \
119.5431 (A.337 A.338 B.24 C.68 D.134 D.135 D.136 -F.287 -F.288 -F.289 -F.290 -F.291 -F.292 -Q.293)
CA 58.4050 (C.68 D.136 -L.534 -L.535 -L.536)
HA 4.4630 (-F.289 -L.534 -L.535 -L.536 -R.519 -R.537)
CB 41.9664 (D.135)
HB1|2 2.3900 (-Q.85 -P.35)
CG 26.5900
HG 2.0800 (-Q.293 -P.37)
CD1|2 24.5300 (-L.552 -L.556 -R.387 -R.386 -R.519)
HD1#|2# \
0.6440 (-L.552 -L.556 -P.46 -R.387 -R.386 -R.519 -R.257 -P.47 -T.74 -T.77)
CD1|2 27.1700
HD1#|2# 0.7270
END_RES_DEF
RES_ID 40
RES_TYPE GLY
PREV_TYPE LEU(49.7) ILE(17.1) PHE(13.3) TYR(12.9) ASP(6.9)
SPIN_SYSTEM_ID 6
HETEROGENEITY 100
HN 8.3735 (A.272 A.273 B.5 C.10 C.9 D.11 D.12 D.258 -F.287 -T.1)
N 126.3174 (A.272 A.273 B.5 C.10 C.9 D.11 D.12 D.258)
CA 48.6360 (C.9 D.11)
HA1 3.8000
HA2 4.1010 (-P.119)
END_RES_DEF
RES_ID 41
RES_TYPE TYR
SPIN_SYSTEM_ID 35
HETEROGENEITY 100
HN 7.6534 (A.325 B.34 D.115 D.114 D.117 -Q.307)
N 120.3457 (A.325 B.34 D.115 D.114 D.117 -Q.307)
CA 60.6790 (C.57 D.117)
HA 4.3500
CB 38.1033 (D.114 -M.13 -M.14)
HB1|2 3.2900 (-M.13 -M.14 -R.261)
CD1 133.4200 (-R.370 -R.261 -R.262 -R.537 -R.538)
HD1 7.2000 (-R.221 -R.370 -R.261 -R.262 -R.537 -R.538 -T.99)
CE1 118.2800 (-R.44)
HE1 6.8700 (-R.44 -T.99)
END_RES_DEF
RES_ID 42
RES_TYPE GLN
PREV_TYPE ILE(33.4) TYR(31.4) PHE(29.6)
SPIN_SYSTEM_ID 51
HETEROGENEITY 100
HN 8.5699 (A.358 A.359 B.44 C.92 C.91 D.163 D.164 D.173 D.174 -Q.317)
N 117.5759 (A.358 A.359 B.44 C.92 C.91 D.163 D.164 D.173 D.174 -Q.317)
CA 59.2970 (C.91 D.164 -M.49)
HA 3.9540 (-M.49 -P.24)
CB 29.1589 (D.163 -M.49 -M.50)
HB1|2 2.6120 (-M.49 -M.50 -P.121 -R.262)
HB1|2 2.4890 (-M.50 -P.35)
CG 34.6300
HG1|2 2.8960 (-Q.317 -Q.327 -R.402 -P.120)
HG1|2 2.6700 (-R.370)
NE2 108.8400
HE21|2 6.6900 (-P.4)
HE21|2 7.4130
END_RES_DEF
RES_ID 43
RES_TYPE TRP
PREV_TYPE GLU(25.8) CYS(20.6) ARG(20.3) TRP(15.8) GLN(13.2)
SPIN_SYSTEM_ID 24
HETEROGENEITY 100
HN 8.7731 (A.305 A.306 B.22 C.38 C.39 D.80 D.93 -Q.763 -Q.327)
N 121.0293 (A.305 A.306 B.22 C.38 C.39 D.80 D.93 -Q.763 -Q.327)
CA 60.0250 (C.39 D.93 -M.71)
HA 4.6110 (-M.71)
CB 29.8100 (D.80 -M.82 -M.85 -R.75)
HB1|2 3.2560 (-M.82 -M.85 -P.32 -R.75)
HB1|2 3.0460
HE1 \
10.9700 (-P.1 -P.2 -P.3 -P.4 -P.23 -P.24 -P.25 -P.26 -P.32 -P.120 -P.33 -P.121 -P.35 -P.37 -P.38 -P.39 -P.45 -P.46 -P.79 -P.124 -P.125 -P.119)
NE1 110.4823
CD1 126.6500 (-G.143 -G.167 -G.144)
HD1 6.7200 (-G.143 -G.167 -G.144 -Q.332 -P.4)
CE3 124.7700
HE3 7.2432 (-T.19 -R.75)
CZ3 114.7200 (-U.959 -U.966)
HZ3 7.4762 (-T.16 -T.17 -T.19 -U.959 -U.966 -R.92 -R.387)
CH2 121.0700
HH2 7.6491 (-P.1 -T.11 -T.13 -T.22 -T.96 -T.23)
CZ2 112.7100 (-U.958 -R.372 -R.371 -R.402 -R.405 -R.257 -R.527)
HZ2 \
7.1083 (-P.3 -T.22 -T.28 -U.958 -R.479 -R.386 -R.372 -R.371 -R.402 -R.405 -R.257 -R.527 -T.27 -T.77)
END_RES_DEF
RES_ID 44
RES_TYPE LYS
PREV_TYPE TRP(29.6) ARG(22.1) GLU(21.3) CYS(12.5)
SPIN_SYSTEM_ID 64
HETEROGENEITY 100
HN 7.6190 (A.384 A.385 B.63 C.116 C.115 D.214 D.217 D.218 -Q.332)
N 115.5256 (A.384 A.385 B.63 C.116 C.115 D.214 D.217 D.218 -Q.332)
CA 58.7510 (C.115 D.217 -L.530)
HA 3.8210 (-L.530 -P.25)
CB 32.3636 (D.214 -L.518 -L.520 -L.521 -U.603)
HB1|2 2.0160
HB1|2 1.9080 (-L.518 -L.520 -L.521 -U.603)
CG 26.1900 (-L.70 -G.17 -U.1007)
HG1|2 1.5960 (-L.70 -G.17 -P.39 -U.1007)
CD 29.2600 (-L.69 -L.70 -L.86 -U.1007 -G.201)
HD1|2 1.7800 (-L.69 -L.70 -L.86 -P.38 -U.1007 -G.201)
CE 42.3800 (-M.13 -M.85 -L.489 -L.492 -L.520 -M.2329 -U.674 -G.53 -G.68)
HE1|2 3.1050 (-M.13 -M.2329 -R.538)
HE1|2 3.0180 (-M.85 -L.489 -L.492 -L.520 -U.674 -G.53 -G.68)
END_RES_DEF
RES_ID 45
RES_TYPE MET
PREV_TYPE LYS(36.5) MET(35.3) TRP(10.5)
SPIN_SYSTEM_ID 67
HETEROGENEITY 100
HN 7.2596 (A.390 A.391 B.64 C.120 C.119 D.231 D.229 D.230)
N 115.0242 (A.390 A.391 B.64 C.120 C.119 D.231 D.229 D.230)
CA 55.2220 (C.120 D.230 -L.552 -M.2327 -U.408)
HA 4.3630 (-L.552 -M.2327 -P.23 -U.408)
CB 32.9079 (D.231)
HB1|2 2.0860 (-R.44 -R.163)
HB1|2 1.9810
CG 32.2900
HG1|2 2.5240
CE 16.9500 (-M.14 -L.443 -L.521)
HE# 2.1400 (-M.14 -L.443 -L.521)
END_RES_DEF
RES_ID 46
RES_TYPE LEU
PREV_TYPE MET(26.1) LYS(19.1) ARG(13.7) TRP(12.1) GLU(11.2) \
CYS(8.1) HIS(5.2)
SPIN_SYSTEM_ID 19
HETEROGENEITY 100
HN 7.0529 (A.295 A.296 B.15 C.29 D.66 D.67)
N 121.6224 (A.295 A.296 B.15 C.29 D.66 D.67)
CA 55.2510 (C.29 D.66)
HA 4.2800 (-R.494)
CB 42.7780 (D.67 -U.337 -R.139)
HB1|2 1.2550 (-R.491 -R.165)
HB1|2 1.1580 (-U.337 -R.166 -R.139)
CG 26.2500 (-L.69 -G.14)
HG 1.8350 (-L.69 -G.14 -R.492 -R.164 -R.372)
CD1|2 22.6400
HD1#|2# 0.7660 (-P.45 -R.503)
CD1|2 \
25.7600 (-R.491 -R.492 -R.494 -R.496 -R.503 -R.166 -R.165 -R.164 -R.163 -R.92)
HD1#|2# \
0.2690 (-R.491 -R.492 -R.494 -R.496 -R.166 -R.165 -R.164 -R.163 -R.92)
END_RES_DEF
RES_ID 47
RES_TYPE THR
PREV_TYPE LEU(52.7) PHE(18.8) TYR(16.6) ASP(11.9)
SPIN_SYSTEM_ID 72
HETEROGENEITY 100
HN 8.8518 (A.400 A.401 B.70 C.127 C.128 D.241 D.243 D.242 D.244)
N 112.8855 (A.400 A.401 B.70 C.127 C.128 D.241 D.243 D.242 D.244)
CA 61.3060 (C.127 D.242)
HA 4.3100
CB 71.5011 (D.241)
HB 4.6770 (-P.22)
CG2 21.7600
HG2# 1.4060
END_RES_DEF
RES_ID 48
RES_TYPE GLU
PREV_TYPE THR(100.0)
SPIN_SYSTEM_ID 33
HETEROGENEITY 100
HN 8.7805 (A.321 A.322 B.23 C.61 C.60 D.107 D.108 D.118)
N 120.3384 (A.321 A.322 B.23 C.61 C.60 D.107 D.108 D.118)
CA 60.5220 (C.60 D.108 -U.920 -G.156)
HA 3.8500 (-U.920 -R.78 -G.156)
CB 29.3076 (-L.457)
HB1|2 2.0600 (-L.457)
CG 36.7000 (-L.445 -L.457 -L.518 -U.920)
HG1|2 2.3240 (-L.445 -L.518)
HG1|2 2.3890 (-L.457 -U.920)
END_RES_DEF
RES_ID 49
RES_TYPE ALA
PREV_TYPE TRP(31.1) CYS(21.7) GLU(21.6) ARG(14.9) GLN(6.4)
SPIN_SYSTEM_ID 39
HETEROGENEITY 100
HN 8.2315 (A.335 A.336 B.38 C.67 C.66 D.131 D.130 D.132 D.133)
N 119.6972 (A.335 A.336 B.38 C.67 C.66 D.131 D.130 D.132 D.133)
CA 55.0570 (C.66 D.132)
HA 4.1490
CB 18.5131 (D.130 -G.42 -G.41 -G.43 -G.183 -G.184 -G.185)
HB# 1.4210 (-G.42 -G.41 -G.43 -G.183 -G.184 -G.185)
END_RES_DEF
RES_ID 50
RES_TYPE GLU
PREV_TYPE ALA(100.0)
SPIN_SYSTEM_ID 57
HETEROGENEITY 100
HN \
7.5391 (A.370 A.371 B.53 C.102 C.101 D.190 D.193 D.192 D.194 D.195 -T.24)
N 116.9893 (A.370 A.371 B.53 C.102 C.101 D.190 D.193 D.192 D.194 D.195)
CA 58.5630 (C.102 D.195)
HA 4.1560
CB 31.5048 (D.193 -L.490)
HB1|2 2.3400 (-L.490)
HB1|2 2.0780 (-P.37)
CG 38.3800 (-U.142 -U.840 -U.839 -U.841 -U.921 -R.449 -U.979)
HG1|2 2.3680 (-R.139)
HG1|2 2.1290 (-U.142 -U.840 -U.839 -U.841 -U.921 -R.449 -U.979)
END_RES_DEF
RES_ID 51
RES_TYPE LYS
PREV_TYPE MET(24.2) LYS(23.0) TRP(20.0) ARG(11.7) HIS(7.8) \
GLU(5.7)
SPIN_SYSTEM_ID 63
HETEROGENEITY 100
HN 7.7873 (A.382 A.383 B.60 C.112 C.110 D.212 D.211 D.213 -T.8 -T.24)
N 115.6897 (A.382 A.383 B.60 C.112 C.110 D.212 D.211 D.213)
CA 59.0670 (C.110 D.213 -L.449 -R.219)
HA 4.1880 (-L.449 -R.219)
CB 34.1370 (D.212)
HB1|2 1.7500
CD 29.4200
HD1|2 1.7100
CE 42.0500 (-G.54)
HE1|2 2.9300 (-G.54)
END_RES_DEF
RES_ID 52
RES_TYPE TRP
PREV_TYPE VAL(32.6) LYS(24.6) MET(18.3) PRO(15.9) TRP(8.6)
SPIN_SYSTEM_ID 31
HETEROGENEITY 100
HN 7.9898 (A.319 A.320 B.29 C.50 C.51 D.101 D.102 -Q.408 -T.8)
N 120.6516 (A.319 A.320 B.29 C.50 C.51 D.101 D.102 -Q.408)
CA 62.8080 (C.50 -R.542)
HA 4.9160 (-P.117 -R.81 -R.542)
CB 27.6712 (D.101)
HB1|2 3.5600 (-P.122 -R.80)
HB1|2 3.6370 (-P.29 -R.79)
HE1 \
10.0300 (-P.16 -P.17 -P.18 -P.19 -P.117 -P.22 -P.28 -P.29 -P.122 -P.43 -P.44)
NE1 108.2886
CD1 127.2900 (-R.80 -R.79 -R.78 -R.77 -R.81)
HD1 7.2800 (-P.17 -R.80 -R.79 -R.78 -R.77 -R.81)
HE3 7.2800
CZ3 124.7700 (-G.103)
HZ3 7.2000 (-G.103 -T.20)
CH2 120.9400
HH2 7.5327 (-T.25)
CZ2 113.8800
HZ2 7.4400 (-P.16 -T.25 -T.20)
END_RES_DEF
RES_ID 53
RES_TYPE PRO
SPIN_SYSTEM_ID 100
HETEROGENEITY 100
CA 66.0100
HA 4.0640
CB 31.1100 (-L.443 -U.979)
HB1|2 1.0700
HB1|2 2.1820 (-L.443 -U.979)
CG 28.5000
HG1|2 1.9640
HG1|2 2.0300
CD 50.4600
HD1|2 4.0140 (-Q.408 -R.77)
END_RES_DEF
RES_ID 54
RES_TYPE PHE
PREV_TYPE PRO(60.2) VAL(39.8)
SPIN_SYSTEM_ID 55
HETEROGENEITY 100
HN 7.5948 (A.366 A.367 C.100 D.185 D.186 -Q.429 -R.472)
N 117.2765 (A.366 A.367 C.100 D.185 D.186)
CA 61.7644 (C.100 D.186 -G.89 -G.90)
HA 4.2570 (-G.89 -G.90 -R.132)
CB 38.2890 (D.185)
HB1|2 3.3070 (-R.482)
HB1|2 3.6670 (-P.26)
CD1 132.2700
HD1 7.5200 (-T.14 -T.15 -R.487 -R.130 -P.8)
CE1 132.1500
HE1 7.6000 (-T.12 -T.15 -T.16 -R.472)
CZ 129.9900 (-G.129)
HZ 7.7900 (-G.129 -T.10 -T.11 -T.12 -T.14 -R.129)
END_RES_DEF
RES_ID 55
RES_TYPE PHE
PREV_TYPE ILE(38.8) TYR(31.0) PHE(28.6)
SPIN_SYSTEM_ID 36
HETEROGENEITY 100
HN 7.9720 (A.326 A.327 B.30 C.58 D.109 D.110)
N 120.2782 (A.326 A.327 B.30 C.58 D.109 D.110)
CA 62.8011 (D.110)
HA 4.3560 (-R.441 -R.484)
CB 38.8297 (D.109 -M.71 -R.24)
HB1|2 3.1580 (-R.542)
HB1|2 3.2010 (-M.71 -R.24)
CD1 132.3100
HD1 7.1300 (-T.26 -T.37 -R.24 -R.486)
CE1 127.8200
HE1 6.8800 (-P.18 -T.34 -T.37 -R.496 -P.80)
CZ 131.9800
HZ 7.4300 (-T.34 -T.26 -P.81)
END_RES_DEF
RES_ID 56
RES_TYPE GLN
PREV_TYPE ILE(53.5) PHE(23.3) TYR(23.2)
SPIN_SYSTEM_ID 44
HETEROGENEITY 100
HN 8.3892 (A.344 A.345 B.39 C.73 D.143 D.142 -Q.429)
N 119.1956 (A.344 A.345 B.39 C.73 D.143 D.142 -Q.429)
CA 59.4010 (C.133)
HA 3.7640 (-P.28)
CB 28.4300
HB1|2 1.6250
HB1|2 1.7690
CG 33.6600
HG1|2 1.5000 (-P.44)
HG1|2 1.5960 (-P.43)
NE2 112.1700
HE21|2 6.8650 (-T.29)
HE21|2 6.7130 (-P.19)
END_RES_DEF
RES_ID 57
RES_TYPE GLU
PREV_TYPE CYS(29.0) GLN(27.5) GLU(21.8) ARG(10.3) TRP(9.4)
SPIN_SYSTEM_ID 28
HETEROGENEITY 100
HN 7.8510 (A.313 A.314 B.31 C.47 -T.29)
N 120.8787 (A.313 A.314 B.31 C.47)
CA 59.3100
HA 4.1520
CB 29.4500 (-L.445 -M.2318)
HB1|2 2.0370
HB1|2 2.1770 (-L.445 -M.2318)
CG 34.9500
HG1|2 2.2320
HG1|2 2.3680
END_RES_DEF
RES_ID 58
RES_TYPE ALA
PREV_TYPE GLU(25.5) ARG(23.1) TRP(18.3) CYS(17.4) GLN(9.8)
SPIN_SYSTEM_ID 29
HETEROGENEITY 100
HN 8.2140 (A.315 A.316 B.26 C.48 C.49 D.96 D.105 D.97 D.98)
N 120.6423 (A.315 A.316 B.26 C.48 C.49 D.96 D.105 D.97 D.98)
CA 55.6315 (C.49 D.97 -G.130)
HA 4.0810 (-G.130 -R.438)
CB 17.9193 (D.96 -M.2351 -R.438 -R.440 -R.441 -R.458)
HB# 1.5380 (-M.2351 -R.438 -R.440 -R.441 -R.458 -R.463 -R.480)
END_RES_DEF
RES_ID 59
RES_TYPE GLN
PREV_TYPE ALA(100.0)
SPIN_SYSTEM_ID 41
HETEROGENEITY 100
HN 8.4026 (A.339 A.340 B.40 C.70 C.69 D.137 D.141 D.260)
N 119.5373 (A.339 A.340 B.40 C.70 C.69 D.137 D.141 D.260)
CA 59.5150 (C.70 D.141 -L.527)
HA 4.1700 (-L.527)
CB 28.3404 (D.137 -L.433)
HB1|2 2.2610 (-L.433)
CG 34.4900 (-L.433)
HG1|2 2.5230
HG1|2 2.6660 (-L.433)
NE2 110.2000
HE21|2 6.7530
HE21|2 7.4510
END_RES_DEF
RES_ID 60
RES_TYPE LYS
PREV_TYPE CYS(32.8) GLN(31.2) GLU(19.2) TRP(8.2) ARG(7.1)
SPIN_SYSTEM_ID 12
HETEROGENEITY 100
HN 7.9169 (A.284 A.285 B.13 C.22 D.50 D.51 D.52 -T.6)
N 122.7480 (A.284 A.285 B.13 C.22 D.50 D.51 D.52)
CA 59.8000 (C.22 D.50)
HA 4.1490
CB 32.1538 (-L.505 -L.507 -L.510 -L.511)
HB1|2 2.0700 (-L.505 -L.507 -L.510 -L.511)
CG 24.9100 (-L.73 -L.85 -L.88)
HG1|2 1.3980 (-L.85)
HG1|2 1.6490 (-L.73 -L.88)
CD 29.4500 (-L.54 -L.74 -L.85 -L.88 -L.510)
HD1|2 1.7290 (-L.54 -L.74 -L.85 -L.88 -L.510)
CE 41.7600 (-J.1 -L.75 -U.992)
HE1|2 2.9570 (-J.1 -L.75 -U.992)
END_RES_DEF
RES_ID 61
RES_TYPE LEU
PREV_TYPE LYS(46.4) MET(18.8) VAL(14.2) PRO(8.4) TRP(8.2)
SPIN_SYSTEM_ID 42
HETEROGENEITY 100
HN 8.3841 (A.341 A.342 C.72 D.139 D.140)
N 119.3641 (A.341 A.342 C.72 D.139 D.140)
CA 58.0310 (C.72 D.140)
HA 4.1900
CB 41.7128 (D.139)
HB1|2 1.4920
HB1|2 2.1050
CG 26.8600
HG 1.9970 (-Q.511 -Q.502)
CD1|2 22.2800 (-U.840 -U.992)
HD1#|2# 0.9610 (-U.840 -R.458 -U.992)
CD1|2 26.21
HD1#|2# 0.97
END_RES_DEF
RES_ID 62
RES_TYPE GLN
PREV_TYPE LEU(43.5) PHE(16.3) TYR(15.6) ILE(12.7) ASP(11.8)
SPIN_SYSTEM_ID 22
HETEROGENEITY 100
HN 8.3567 (A.301 A.302 B.20 C.37 C.36 D.78 D.79 D.81)
N 121.2732 (A.301 A.302 B.20 C.37 C.36 D.78 D.79 D.81)
CA 59.4710 (C.37 D.79 -M.35)
HA 3.9790 (-M.35)
CB 28.3490 (D.78 -M.35 -L.528 -G.162)
HB1|2 2.2640 (-M.35 -L.528 -G.162)
CG 34.2900 (-L.505)
HG1|2 2.4980 (-L.505)
HG1|2 2.4240
NE2 111.1300
HE21|2 7.3160 (-P.104 -T.108)
HE21|2 7.0200 (-P.91)
END_RES_DEF
RES_ID 63
RES_TYPE ALA
PREV_TYPE CYS(30.7) GLN(27.4) GLU(21.4) TRP(9.5) ARG(9.3)
SPIN_SYSTEM_ID 11
HETEROGENEITY 100
HN 8.1563 (A.282 A.283 B.11 C.20 C.19 D.46 D.47 D.45 D.44 -T.6)
N 123.2586 (A.282 A.283 B.11 C.20 C.19 D.46 D.47 D.45 D.44)
CA 55.4760 (C.19 D.45)
HA 4.2250
CB 17.9713 (-L.507 -G.46 -G.47)
HB# 1.6240 (-L.507 -G.46 -G.47)
END_RES_DEF
RES_ID 64
RES_TYPE MET
PREV_TYPE ALA(100.0)
SPIN_SYSTEM_ID 52
HETEROGENEITY 100
HN 8.1935 (A.360 A.361 B.49 C.87 C.90 D.166 D.167 D.168 D.176 -Q.502 -T.4)
N 117.5458 (A.360 A.361 B.49 C.87 C.90 D.166 D.167 D.168 D.176 -Q.502)
CA 58.7300 (C.87 D.166)
HA 4.1960
CB 33.2853 (D.168)
HB1|2 2.2110
CG 32.2500 (-M.2318)
HG1|2 2.8170
HG1|2 2.6210 (-M.2318)
CE 17.0700 (-L.528 -U.840 -U.834)
HE# 2.1400 (-L.528 -U.840 -U.834)
END_RES_DEF
RES_ID 65
RES_TYPE HIS
PREV_TYPE LYS(36.4) MET(33.7) TRP(9.9) VAL(9.2)
SPIN_SYSTEM_ID 14
HETEROGENEITY 100
HN 8.1107 (A.287 A.288 B.18 C.24 C.23 D.57 D.58 D.59 D.60 -Q.511)
N 122.1042 (A.287 A.288 B.18 C.24 C.23 D.57 D.58 D.59 D.60 -Q.511)
CA 61.0230 (C.24 D.60)
HA 4.1950
CB 31.8746
HB1|2 3.1900
HB1|2 3.8600
CD2 119.8000
HD2 7.0900 (-T.38)
CE1 138.3000 (-R.467)
HE1 6.6000 (-T.38 -R.467 -T.110 -T.87)
END_RES_DEF
RES_ID 66
RES_TYPE ARG
PREV_TYPE VAL(36.2) PRO(25.9) LYS(24.1) TRP(9.7)
SPIN_SYSTEM_ID 58
HETEROGENEITY 100
HN 8.0309 (A.372 A.373 B.56 C.105 C.104 D.201 D.200 D.199 -T.4)
N 116.8399 (A.372 A.373 B.56 C.105 C.104 D.201 D.200 D.199)
CA 58.3800 (C.104 D.199)
HA 4.2780
CB 30.4095 (D.201)
HB1|2 2.0170
HB1|2 2.1080
CG 27.7900
HG1|2 1.9690
HG1|2 1.8720
CD 43.5800
HD1|2 3.3810
END_RES_DEF
RES_ID 67
RES_TYPE GLU
PREV_TYPE TRP(23.9) ARG(22.1) GLU(16.2) HIS(15.2) CYS(9.4) \
LYS(5.4)
SPIN_SYSTEM_ID 59
HETEROGENEITY 100
HN 7.5020 (A.374 A.375 B.52 C.103 D.196 D.197)
N 116.7360 (A.374 A.375 B.52 C.103 D.196 D.197)
CA 58.5110 (C.103 D.197)
HA 4.0310
CB 30.1400 (-L.442 -L.458)
HB1|2 2.0930 (-L.442 -L.458)
CG 36.4600 (-L.458)
HG1|2 2.3950 (-L.458)
HG1|2 2.2380
END_RES_DEF
RES_ID 68
RES_TYPE LYS
PREV_TYPE ARG(23.8) TRP(22.6) GLU(18.4) HIS(13.4) CYS(10.7)
SPIN_SYSTEM_ID 49
HETEROGENEITY 100
HN 7.6074 (A.354 A.355 B.47 C.86 D.161 D.160 D.162)
N 118.2049 (A.354 A.355 B.47 C.86 D.161 D.160 D.162)
CA 58.1340 (C.86 D.160)
HA 3.8480
CB 33.4529 (D.161)
HB1|2 1.0800 (-T.87)
HB1|2 1.3880
CG 25.1500
HG1|2 0.7780
HG1|2 1.0960
CD 29.2500
HD1|2 1.4780
CE 41.8900
HE1|2 2.8830
END_RES_DEF
RES_ID 69
RES_TYPE TYR
PREV_TYPE LYS(37.1) MET(34.5) TRP(15.1)
SPIN_SYSTEM_ID 60
HETEROGENEITY 100
HN 8.0444 (A.376 A.377 B.55 C.106 D.202 D.206 D.207)
N 116.5431 (A.376 A.377 B.55 C.106 D.202 D.206 D.207)
CA 54.3760 (C.106 D.207)
HA 5.0520 (-R.546 -T.110)
CB 38.0236 (D.206 -R.546)
HB1|2 2.6400 (-R.385)
HB1|2 2.9230 (-R.546)
CD1 134.4700 (-R.385)
HD1 6.5800 (-T.45 -R.396 -R.385)
CE1 117.4900
HE1 6.6500 (-T.45 -V.329 -T.48 -T.53)
END_RES_DEF
RES_ID 70
RES_TYPE PRO
SPIN_SYSTEM_ID 101
HETEROGENEITY 100
CA 64.8400
HA 4.6250
CB 32.1600
HB1|2 1.9400 (-R.466)
HB1|2 2.4060
CG 27.3700
HG1|2 1.9400
CD 50.4500
HD1|2 3.6450
HD1|2 3.4040
END_RES_DEF
RES_ID 71
RES_TYPE ASN
PREV_TYPE VAL(56.2) PRO(43.8)
SPIN_SYSTEM_ID 68
HETEROGENEITY 100
HN 8.5856 (A.394 A.395 D.224 D.225)
N 115.0480 (A.394 A.395 D.224 D.225)
CA 52.9650 (D.225 -R.544)
HA 4.8980 (-R.544)
CB 38.8435 (D.224 -M.2310)
HB1|2 2.8090 (-M.2310 -R.544)
HB1|2 2.9860
ND2 112.8500
HD21|2 6.9650
HD21|2 7.5860
END_RES_DEF
RES_ID 72
RES_TYPE TYR
PREV_TYPE ASN(79.3) ASP(14.8) MET(5.9)
SPIN_SYSTEM_ID 20
HETEROGENEITY 100
HN 7.7499 (A.297 A.298 B.17 C.31 C.30 D.68 D.69 D.77 -Q.549 -T.9)
N 121.5871 (A.297 A.298 B.17 C.31 C.30 D.68 D.69 D.77 -Q.549)
CA 59.6980 (C.30 D.69)
HA 4.3120
CB 39.1045 (D.68)
HB1|2 3.1330
HB1|2 3.1900
CD1 133.5800
HD1 7.0700 (-Q.549 -R.400 -T.100)
CE1 118.0400 (-G.33 -G.36 -G.38)
HE1 6.7300 (-R.513 -G.33 -G.36 -G.38 -T.100)
END_RES_DEF
RES_ID 73
RES_TYPE LYS
PREV_TYPE PHE(33.2) TYR(31.4) ILE(31.3)
SPIN_SYSTEM_ID 5
HETEROGENEITY 100
HN 7.4059 (A.270 A.271 B.4 C.8 D.15 D.16 D.13 D.14)
N 126.5270 (A.270 A.271 B.4 C.8 D.15 D.16 D.13 D.14)
CA 54.9470 (C.8 D.14)
HA 4.3000
CB 34.7610 (-L.3 -L.84)
HB1|2 1.5240
HB1|2 1.6250 (-L.3 -L.84)
CG 24.5600 (-L.2 -L.544)
HG1|2 1.3450 (-L.2 -L.544)
CD 29.1500 (-L.1 -L.84 -L.43)
HD1|2 1.6970 (-L.1 -L.84 -L.43)
HD1|2 1.6340
CE 41.9500
HE1|2 3.0070
END_RES_DEF
RES_ID 74
RES_TYPE TYR
PREV_TYPE LYS(34.2) MET(26.2) ARG(10.8) TRP(10.5) GLU(8.5)
SPIN_SYSTEM_ID 9
HETEROGENEITY 100
HN 8.5435 (A.278 A.279 A.406 A.407 B.10 C.18 C.17 D.38 D.39 D.40 D.41)
N 123.6188 (A.278 A.279 A.406 A.407 B.10 C.18 C.17 D.38 D.39 D.40 D.41)
CA 57.6920 (C.17 D.41)
HA 4.4560 (-Q.567)
CB 38.2469
HB1|2 3.0810 (-R.403)
HB1|2 3.1700
CD1 133.1000 (-R.403 -R.525 -G.196 -G.278 -G.277 -G.279)
HD1 7.2600 (-R.403 -R.525 -T.98 -G.196 -G.278 -G.277 -G.279)
CE1 118.1600 (-R.466)
HE1 6.8200 (-R.466 -R.525 -P.111 -T.98)
END_RES_DEF
RES_ID 75
RES_TYPE ARG
PREV_TYPE TYR(43.7) PHE(39.3) ASN(6.3) ILE(5.7)
SPIN_SYSTEM_ID 4
HETEROGENEITY 100
HN 8.0739 (A.268 A.269 B.2 C.6 C.7 D.10 D.8 D.9 D.257 -Q.567 -T.9)
N 126.6316 (A.268 A.269 B.2 C.6 C.7 D.10 D.8 D.9 D.257 -Q.567)
CA 53.1610 (C.7 D.9)
HA 4.5300
CB 31.1122
HB1|2 1.6130
HB1|2 1.7120
CG 27.0200
HG1|2 1.4650
CD 43.6400
HD1|2 3.1580
END_RES_DEF
RES_ID 76
RES_TYPE PRO
SPIN_SYSTEM_ID 102
HETEROGENEITY 100
CA 62.9200
HA 4.3790
CB 32.3400
HB1|2 2.3370
HB1|2 1.9360
CG 27.5400
HG1|2 2.0310
HG1|2 1.9640
CD 50.1600
HD1|2 3.4300
END_RES_DEF
RES_ID 77
RES_TYPE ARG
SPIN_SYSTEM_ID 18
HETEROGENEITY 100
HN 8.4661 (A.294 B.21 C.33 D.63 D.72 D.70 D.71)
N 121.6863 (A.294 B.21 C.33 D.63 D.72 D.70 D.71)
CA 56.8043 (C.33 D.71)
HA 4.2190
CB 30.8211 (D.72)
HB1|2 1.8520
CG 27.2300
HG1|2 1.5990
CD 43.7100
HD1|2 3.1990
END_RES_DEF
RES_ID 78
RES_TYPE ARG
PREV_TYPE TRP(18.8) ARG(17.8) HIS(17.4) GLU(15.6) CYS(11.9) \
LYS(6.4) MET(6.1) GLN(5.1)
SPIN_SYSTEM_ID 3
HETEROGENEITY 100
HN 7.7656 (A.265 A.266 B.3 C.5 C.4 D.6 D.7 D.5)
N 126.7692 (A.265 A.266 B.3 C.5 C.4 D.6 D.7 D.5)
CA 57.3230 (C.4 D.5)
HA 4.2180
CB 32.0416 (-L.42)
HB1|2 1.7000 (-L.42)
HB1|2 1.8600
CG 27.3600
HG1|2 1.5820
CD 43.4300
HD1|2 3.1980
END_RES_DEF
RES_ID 103
RES_TYPE ASP
SPIN_SYSTEM_ID 16
HETEROGENEITY 100
HN 8.4397 (A.291 A.293 D.64 D.65 D.259)
N 121.8007 (A.291 A.293 D.64 D.65 D.259)
CA 54.6032 (D.65)
CB 41.4906 (D.64)
END_RES_DEF
RES_ID 104
RES_TYPE ARG
PREV_TYPE ASP(44.8) LEU(30.8) PHE(10.9) TYR(10.3)
SPIN_SYSTEM_ID 25
HETEROGENEITY 100
HN 8.1455 (A.307 A.308 B.27 C.43 C.42 D.86 D.85 D.88 D.89)
N 120.9847 (A.307 A.308 B.27 C.43 C.42 D.86 D.85 D.88 D.89)
CA 56.0020 (C.42 D.89)
CB 31.3556 (D.85)
END_RES_DEF
RES_ID 108
RES_TYPE PRO
SPIN_SYSTEM_ID 252
HETEROGENEITY 100
CA 61.9300
HA 4.3970
CB 31.5700
HB1|2 1.8780
HB1|2 1.8190
CG 24.9200
HG1|2 1.3640
HG1|2 1.5840
CD 49.7700
HD1|2 3.3840
HD1|2 3.1400
END_RES_DEF
RES_ID 140
RES_TYPE GLY
PREV_TYPE LEU(49.7) ILE(17.1) PHE(13.3) TYR(12.9) ASP(6.9)
SPIN_SYSTEM_ID 206
HETEROGENEITY 100
HN 8.3735
N 126.9200
CA 48.6360 (C.9 D.11)
HA1 3.8000
HA2 4.1010
END_RES_DEF
RES_ID 143
RES_TYPE TRP
PREV_TYPE GLU(25.8) CYS(20.6) ARG(20.3) TRP(15.8) GLN(13.2)
SPIN_SYSTEM_ID 243
HETEROGENEITY 100
HN 8.7731 (A.305 A.306 B.22 C.38 C.39 D.80 D.93)
N 121.0293 (A.305 A.306 B.22 C.38 C.39 D.80 D.93)
CA 60.0250 (C.39 D.93 -M.71)
HA 4.6110 (-M.71)
CB 29.8100 (D.80 -M.82 -M.85)
HB1|2 3.2560 (-M.82 -M.85)
HE1 10.0300
NE1 108.2886
CD1 113.8800
HD1 7.2800
CE3 133.2100
HE3 7.1969
CZ3 121.1400
HZ3 7.6361
CH2 114.7000
HH2 7.5327
CZ2 127.2900
HZ2 7.2788
END_RES_DEF
RES_ID 153
RES_TYPE PRO
SPIN_SYSTEM_ID 253
HETEROGENEITY 100
CA 66.0100
HA 4.0640
CB 31.1100
HB1|2 1.4300
CG 22.3200
HG1|2 1.1500
CD 50.4600
HD1|2 3.9970
END_RES_DEF
RES_ID 201
RES_TYPE GUA
SPIN_SYSTEM_ID 301
HETEROGENEITY 100
H8 7.9570 (-A.254 -A.264 -A.268 -A.257 -V.174 -V.175 -V.28 -V.27)
H1' \
6.0030 (-A.43 -A.63 -A.101 -A.100 -A.337 -A.356 -A.96 -A.451 -G.27 -X.65 -X.86 -X.87 -V.392 -V.508)
H2' 2.5970 (-A.100 -A.115 -A.143 -X.22 -X.86 -V.115 -V.174 -V.514 -V.515)
H2'' \
2.7980 (-A.101 -A.119 -A.153 -A.144 -A.309 -X.21 -X.87 -X.97 -V.175 -V.519)
H3' 4.8890 (-A.144 -A.143 -A.356 -A.208 -A.210)
H4' 4.2769 (-A.208 -G.33 -V.397 -V.28 -V.514)
H5' 3.7306 (-A.210 -A.397 -V.397 -V.392 -V.515 -V.519)
H5'' 4.1498 (-A.209 -G.16 -V.27 -V.508)
END_RES_DEF
RES_ID 202
RES_TYPE CYT
SPIN_SYSTEM_ID 302
HETEROGENEITY 100
H5 5.5460 (-A.114 -A.111 -A.337 -A.338 -V.115)
H6 \
7.5030 (-A.247 -A.254 -A.255 -A.279 -A.281 -A.282 -A.43 -A.41 -A.40 -A.179 -X.21 -X.22 -X.23 -X.24 -X.50 -X.65)
HN' 6.5450 (-P.71)
HN'' 8.4960
H1' 5.5350 (-A.119 -A.115 -A.357 -A.382 -X.94 -X.95 -X.97 -T.53)
H2' 2.1400 (-A.111 -A.305 -X.24 -X.94 -V.417)
H2'' 2.4460 (-A.156 -A.179 -A.114 -A.142 -X.3 -X.23 -X.95 -V.513 -V.417)
H3' \
4.8950 (-A.7 -A.41 -A.142 -A.305 -A.357 -A.211 -A.209 -A.453 -A.363 -A.371 -X.50)
H4' 4.1879 (-A.40 -A.382 -A.211 -G.38 -V.513 -G.277)
END_RES_DEF
RES_ID 203
RES_TYPE ADE
SPIN_SYSTEM_ID 303
HETEROGENEITY 100
H2 7.8000 (-A.461 -A.462 -G.36)
H8 \
8.4120 (-A.248 -A.247 -A.1 -A.3 -A.7 -A.288 -A.156 -X.1 -X.2 -X.3 -X.43 -X.60 -X.61 -V.248 -V.5)
H1' \
6.3510 (-A.44 -A.1 -A.78 -A.79 -A.325 -A.334 -A.346 -A.364 -A.376 -A.461 -X.61 -X.73 -X.74)
H2' 2.7490 (-A.79 -A.120 -A.300 -A.136 -A.302 -X.2 -X.74 -V.302)
H2'' 3.0080 (-A.288 -A.189 -A.78 -A.121 -A.137 -G.204 -X.1 -X.20 -X.73)
H3' \
5.1120 (-A.3 -A.285 -A.137 -A.136 -A.346 -A.347 -A.212 -A.213 -A.214 -A.390 -A.354 -X.43 -V.302 -G.278)
H4' 4.4680 (-A.364 -A.212 -A.370 -A.451 -A.371 -G.122)
H5' 4.1658 (-A.213 -V.5 -G.279)
H5'' 4.0642 (-A.214 -G.15)
END_RES_DEF
RES_ID 204
RES_TYPE CYT
SPIN_SYSTEM_ID 304
HETEROGENEITY 100
H5 \
5.5240 (-A.121 -A.120 -A.109 -A.110 -A.334 -A.341 -A.344 -A.347 -A.353 -G.82 -X.60)
H6 \
7.4120 (-A.44 -A.257 -A.281 -A.285 -A.189 -A.249 -A.250 -A.279 -X.20 -X.33 -X.51 -V.248 -V.249 -P.113)
HN' 6.6440
HN'' 8.2230
H1' \
5.3060 (-A.125 -A.126 -A.298 -A.344 -A.216 -A.370 -A.215 -A.343 -G.199 -X.99 -V.299 -T.115)
H2' 2.0130 (-A.110 -A.126 -A.131 -X.34)
H2'' 1.9040 (-A.109 -A.125 -A.130 -X.5 -X.33 -X.99 -V.299)
H3' 4.9830 (-A.130 -A.131 -A.216 -A.353 -A.354 -X.51 -V.11)
H4' 4.2788 (-A.215 -A.376 -G.55 -G.198 -G.135)
END_RES_DEF
RES_ID 205
RES_TYPE ADE
SPIN_SYSTEM_ID 305
HETEROGENEITY 100
H2 \
7.6300 (-A.464 -A.467 -A.468 -G.2 -G.19 -G.21 -G.64 -H.12 -I.1 -X.64 -V.467 -P.109 -P.136)
H8 8.2030 (-A.249 -A.158 -A.310 -G.52 -X.4 -X.5 -X.6 -X.45 -V.249 -V.11)
HN' 6.2840 (-P.84)
H1' \
6.0000 (-A.102 -A.98 -A.97 -A.96 -A.330 -A.331 -A.343 -A.366 -A.372 -A.378 -A.389 -A.381 -A.464 -A.63 -G.62 -X.64 -X.66 -X.77 -X.85 -V.217 -P.13 -T.59 -T.115)
H2' 1.6200 (-A.158 -A.97 -A.150 -A.420 -G.186 -G.121 -X.4 -X.77)
H2'' 2.0490 (-A.98 -A.117 -A.306 -A.420 -X.6 -X.85)
H3' 4.7850 (-A.145 -A.150 -A.306 -A.363 -G.130 -X.45 -V.217)
H4' 4.2800 (-A.378 -G.18)
H5' 3.9466 (-A.390 -G.15 -G.17)
END_RES_DEF
RES_ID 206
RES_TYPE ADE
SPIN_SYSTEM_ID 306
HETEROGENEITY 100
H2 \
7.3700 (-A.62 -A.63 -G.1 -G.63 -H.13 -I.2 -X.34 -X.66 -P.137 -T.18 -T.36)
H8 \
8.1990 (-A.250 -A.260 -A.261 -A.9 -A.311 -A.443 -G.52 -X.7 -X.8 -X.44 -X.62 -T.5)
HN'' 6.1390 (-G.89)
HN' 8.0030
H1' \
5.8200 (-A.9 -A.37 -A.62 -A.103 -A.104 -A.338 -A.218 -A.219 -A.220 -G.61 -X.62 -X.89 -X.90 -V.338 -T.59 -T.70)
H2' 2.6140 (-A.104 -A.141 -X.7 -X.89 -V.303)
H2'' 2.8530 (-A.103 -A.138 -X.8 -X.90)
H3' 4.9710 (-A.138 -A.141 -A.303 -A.218 -A.384 -A.385 -A.453 -G.60 -X.44)
H4' 4.1464 (-A.219 -A.384 -A.381 -G.59 -G.28 -G.92)
H5' 4.0216 (-A.385 -A.220 -A.389)
END_RES_DEF
RES_ID 207
RES_TYPE ADE
SPIN_SYSTEM_ID 307
HETEROGENEITY 100
H2 7.7300 (-A.463 -A.465 -A.466 -T.18)
H8 \
7.9600 (-A.256 -A.261 -A.262 -A.263 -A.265 -A.268 -A.37 -A.36 -A.34 -A.443 -X.12 -X.48 -T.5)
H1' \
5.7480 (-A.36 -A.61 -A.105 -A.333 -A.341 -A.351 -A.223 -A.465 -X.91 -T.114 -T.57 -T.117)
H2' 2.3620 (-A.438 -X.12 -V.520)
H2'' 2.3620 (-A.105 -A.113 -X.91 -V.433)
H3' 4.9820 (-A.351 -A.352 -X.48 -V.303)
H4' 4.2760 (-G.139)
H5' 4.0260 (-A.223 -G.93 -V.520)
END_RES_DEF
RES_ID 208
RES_TYPE CYT
SPIN_SYSTEM_ID 308
HETEROGENEITY 100
H5 \
5.5670 (-A.34 -A.59 -A.112 -A.113 -A.336 -A.367 -A.352 -V.338 -T.57 -T.52)
H6 \
7.3690 (-A.252 -A.64 -A.62 -A.61 -A.59 -A.70 -A.193 -A.192 -A.257 -A.256 -X.36 -X.37 -X.55 -X.67)
H1' \
6.0890 (-A.64 -A.92 -A.91 -A.331 -A.365 -A.225 -A.391 -A.463 -G.51 -G.150 -G.84 -X.67 -X.83 -X.84 -P.124 -T.114 -T.52 -T.117 -T.118)
H2' 2.2390 (-A.193 -A.92 -A.112 -A.148 -A.438 -X.37 -X.84 -V.433 -V.524)
H2'' 2.1550 (-A.192 -A.91 -A.147 -G.85 -X.36 -X.83 -V.523)
H3' \
4.5360 (-A.70 -A.147 -A.148 -A.365 -A.366 -A.367 -A.224 -A.398 -G.149 -G.115 -G.134 -X.55)
H4' 3.9531 (-A.225 -A.398 -G.14 -G.17 -G.132)
H5' 3.6738 (-A.391 -A.224 -G.32 -V.523 -V.524)
END_RES_DEF
RES_ID 209
RES_TYPE GUA
SPIN_SYSTEM_ID 309
HETEROGENEITY 100
H8 8.0650 (-A.263 -A.292 -A.311 -V.23)
H1' \
6.0870 (-A.90 -A.329 -A.330 -A.335 -A.336 -A.339 -A.350 -A.226 -G.84 -G.150 -G.89 -X.68 -V.95)
H2' 2.7350 (-A.140 -A.411 -X.25 -V.516 -V.517 -V.403)
H2'' 2.7350 (-V.300 -V.95)
H3' 4.9830 (-A.140 -A.129 -A.350 -A.380 -A.227 -A.228 -G.58 -V.361)
H4' 4.2592 (-A.226 -A.380 -A.396 -A.397 -G.139 -V.23 -V.517)
H5' 3.7035 (-A.227 -A.396 -G.32 -V.516)
H5'' 3.6112 (-A.228)
END_RES_DEF
RES_ID 210
RES_TYPE THY
SPIN_SYSTEM_ID 310
HETEROGENEITY 100
H3 14.0270
H5# 1.7270 (-A.90 -A.304 -A.129 -A.402 -A.411 -A.466 -X.31 -V.403)
H6 \
7.4310 (-A.248 -A.250 -A.256 -A.281 -A.45 -A.56 -A.182 -A.249 -A.313 -X.25 -X.31 -X.32 -X.35 -X.38 -X.57 -X.58 -X.68 -X.70 -V.184 -V.186)
H1' \
6.2150 (-A.66 -A.45 -A.86 -A.85 -A.296 -A.325 -A.327 -A.329 -A.229 -A.230 -G.75 -G.74 -G.90 -X.70 -X.78 -X.79 -T.46)
H2' 2.0080 (-A.85 -A.412 -A.414 -X.19 -X.35 -X.78 -V.413 -V.184)
H2'' 2.3380 (-A.86 -A.145 -A.423 -X.38 -X.79 -V.145 -V.186 -V.533)
H3' 4.8022 (-A.56 -A.304 -A.308 -A.229 -X.58 -V.145 -V.361 -V.300)
H4' 4.2800 (-G.94 -X.57)
H5' 3.9534 (-A.230)
END_RES_DEF
RES_ID 211
RES_TYPE THY
SPIN_SYSTEM_ID 311
HETEROGENEITY 100
H3 13.7140 (-P.109)
H5# \
1.8130 (-A.204 -A.182 -A.201 -A.292 -A.81 -A.296 -A.308 -A.401 -A.402 -A.412 -A.413 -A.423 -A.468 -X.17 -X.32 -V.413 -V.533 -P.131)
H6 \
7.0760 (-A.65 -A.66 -A.72 -A.205 -A.204 -A.203 -A.202 -A.313 -A.314 -X.16 -X.17 -X.18 -X.19 -X.59 -P.116)
H1' \
6.2920 (-A.65 -A.81 -A.80 -A.82 -A.83 -A.327 -A.328 -A.360 -A.388 -G.80 -X.75 -X.76 -T.46)
H2'' 1.7300 (-A.203 -A.82 -A.152 -A.425 -A.467 -X.76 -P.38)
H2' 1.4040 (-A.202 -A.83 -A.151 -A.424 -X.16 -X.75 -V.526)
H3' 4.8410 (-A.72 -A.151 -A.152 -A.307 -A.360 -A.361 -G.143 -X.59)
H4' 4.2808 (-G.95)
H5' 3.9200 (-A.388 -G.23 -G.106 -G.3 -P.24)
END_RES_DEF
RES_ID 212
RES_TYPE THY
SPIN_SYSTEM_ID 312
HETEROGENEITY 100
H3 13.6080
H5# \
1.9100 (-A.205 -A.200 -A.80 -A.298 -A.307 -A.401 -A.414 -A.418 -A.424 -X.18 -X.29 -V.167 -V.526 -P.130)
H6 \
7.2740 (-A.251 -A.280 -A.282 -A.67 -A.196 -A.199 -A.200 -A.201 -A.314 -X.28 -X.29 -X.53 -X.72 -P.114)
H1' \
5.4700 (-A.19 -A.67 -A.118 -A.117 -A.339 -A.362 -A.245 -A.448 -G.82 -X.72 -X.98 -V.117 -V.246 -V.509)
H2' 2.0490 (-A.199 -A.166 -A.413 -V.117)
H2'' 2.5390 (-A.165 -A.196 -A.118 -A.146 -A.407 -A.418 -X.10 -X.28 -X.98)
H3' \
4.7890 (-A.146 -A.300 -A.301 -A.362 -A.446 -G.143 -G.68 -G.99 -G.201 -X.47 -X.53 -V.301 -P.125)
H4' 4.3840 (-A.245 -P.23)
H5' 3.8490 (-G.30 -V.246 -P.25)
END_RES_DEF
RES_ID 213
RES_TYPE GUA
SPIN_SYSTEM_ID 313
HETEROGENEITY 100
H1 12.3766 (-P.113 -P.114 -P.115 -P.116 -P.84 -P.130 -P.131)
H8 \
8.0950 (-A.251 -A.252 -A.260 -A.262 -A.265 -A.264 -A.19 -A.20 -A.163 -A.164 -A.165 -A.166 -A.168 -A.310 -A.311 -X.9 -X.10 -X.11 -X.47 -V.167)
H1' \
5.3298 (-A.20 -A.68 -A.122 -A.153 -A.123 -A.127 -A.343 -A.232 -A.233 -A.234 -X.100 -X.101 -T.116)
H2' 2.8000 (-A.164 -A.153 -A.123 -A.408 -G.167 -X.11 -X.100 -V.301 -V.530)
H2'' 2.8850 (-A.163 -A.198 -A.102 -A.122 -A.409 -A.446 -X.101 -V.531)
H3' 4.9762 (-A.232 -V.511)
H4' 4.3814 (-A.233 -A.372 -G.176 -G.183 -G.129)
H5' 3.9880 (-A.389 -A.234 -A.390 -G.29 -G.43 -G.185 -G.53 -G.77)
H5'' 3.8506 (-G.14 -G.30 -V.509)
END_RES_DEF
RES_ID 214
RES_TYPE THY
SPIN_SYSTEM_ID 314
HETEROGENEITY 100
H3 13.7720 (-P.104 -P.91 -P.71)
H5# \
1.4990 (-A.207 -A.168 -A.170 -A.96 -A.108 -A.127 -A.128 -A.406 -A.407 -A.408 -A.409 -A.425 -X.9 -X.30 -V.527 -V.530 -V.531)
H6 \
7.3500 (-A.63 -A.60 -A.68 -A.69 -A.198 -A.207 -A.252 -A.257 -X.30 -X.39 -X.40 -X.52)
H1' \
5.6190 (-A.35 -A.60 -A.106 -A.107 -A.108 -A.335 -A.349 -A.236 -X.63 -X.92 -X.93 -T.116)
H2' 2.3810 (-A.107 -A.133 -A.406 -A.433 -A.436 -X.39 -X.93 -V.527)
H2'' 2.5140 (-A.106 -A.134 -A.436 -X.13 -X.40 -X.92)
H3' \
5.0220 (-A.31 -A.69 -A.134 -A.133 -A.128 -A.349 -A.361 -A.375 -A.383 -X.52)
H4' 4.1430 (-A.236 -A.383 -G.184 -G.54 -G.156 -V.511)
END_RES_DEF
RES_ID 215
RES_TYPE GUA
SPIN_SYSTEM_ID 315
HETEROGENEITY 100
H1 12.9720 (-P.111)
H8 \
7.9420 (-A.255 -A.257 -A.265 -A.35 -A.33 -A.31 -A.170 -A.262 -A.264 -X.13 -X.14 -X.15 -X.49 -X.63 -V.244)
H1' \
6.1700 (-A.87 -A.88 -A.333 -A.340 -A.242 -A.377 -A.238 -A.462 -G.103 -G.90 -X.69 -X.81 -X.82 -V.329 -V.238 -T.108 -T.48 -G.196)
H2' 2.6340 (-A.289 -A.88 -A.135 -A.303 -X.14 -X.26 -X.81 -V.297)
H2'' 2.7790 (-A.87 -A.301 -A.139 -G.144 -X.15 -X.82 -V.309 -V.518)
H3' 5.0774 (-A.139 -A.135 -A.302 -A.242 -A.348 -A.379 -A.386 -A.390 -X.49)
H4' 4.2695 (-A.377 -A.379 -G.79 -G.162)
H5' 4.1500 (-G.81 -V.238 -V.244)
H5'' 4.1141 (-A.386 -G.46)
END_RES_DEF
RES_ID 216
RES_TYPE CYT
SPIN_SYSTEM_ID 316
HETEROGENEITY 100
H5 \
5.3870 (-A.33 -A.49 -A.124 -A.309 -A.340 -A.348 -A.369 -A.448 -V.309 -V.124 -V.297)
H6 \
7.4560 (-A.249 -A.248 -A.279 -A.280 -A.281 -A.46 -A.49 -A.55 -A.289 -A.255 -X.26 -X.27 -X.56 -X.69)
H1' 6.1710 (-A.46 -A.89 -A.328 -A.237 -A.374 -G.90 -X.80)
H2' 2.2130 (-A.89 -A.149 -A.433 -X.27 -V.124)
H2'' 2.2130 (-A.124 -X.80 -V.512)
H3' 4.4830 (-A.55 -A.149 -A.237 -A.369 -G.96 -X.56)
H4' 4.3449 (-A.374 -A.375 -G.42 -G.47 -G.129)
H5' 4.1629 (-G.41 -V.518)
H5'' 4.1164 (-A.238 -G.46 -V.512)
END_RES_DEF
RES_ID *
RES_TYPE UNK
PREV_TYPE ARG(19.0) GLU(16.7) HIS(16.0) TRP(15.7) CYS(13.1) \
LYS(6.3) GLN(6.3) MET(6.0)
SPIN_SYSTEM_ID 2
HETEROGENEITY 100
CA:-1 56.5013 (A.408)
CB:-1 30.7981 (A.409)
HN 7.9003 (A.408 A.409 C.130 D.254 D.255 D.256)
N 127.0670 (A.408 A.409 C.130 D.254 D.255 D.256)
CA 57.5620
CB 31.8885
END_RES_DEF
RES_ID *
RES_TYPE UNK
SPIN_SYSTEM_ID 97
HETEROGENEITY 100
N 126.4700
HN 7.2970
HA 3.1400
END_RES_DEF
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