NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
6066 1ie5 5044 cing 1-original 3 AMBER dihedral angle


#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 =150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=34,32,30,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=46,44,42,34, &end
#
#  trans-omega constraint for residue 5
 &rst iat=65,63,61,46, &end
#
#  trans-omega constraint for residue 6
 &rst iat=82,80,78,65, &end
#
#  trans-omega constraint for residue 7
 &rst iat=98,96,94,82, &end
#
#  trans-omega constraint for residue 8
 &rst iat=117,115,113,98, &end
#
#  trans-omega constraint for residue 9
 &rst iat=133,131,129,117, &end
#
#  trans-omega constraint for residue 10
 &rst iat=147,145,143,133, &end
#
#  trans-omega constraint for residue 11
 &rst iat=171,161,159,147, &end
#
#  trans-omega constraint for residue 12
 &rst iat=185,175,173,171, &end
#
#  trans-omega constraint for residue 13
 &rst iat=191,189,187,185, &end
#
#  trans-omega constraint for residue 14
 &rst iat=202,200,198,191, &end
#
#  trans-omega constraint for residue 15
 &rst iat=218,216,214,202, &end
#
#  trans-omega constraint for residue 16
 &rst iat=242,240,238,218, &end
#
#  trans-omega constraint for residue 17
 &rst iat=252,250,248,242, &end
#
#  trans-omega constraint for residue 18
 &rst iat=276,274,272,252, &end
#
#  trans-omega constraint for residue 19
 &rst iat=293,291,289,276, &end
#
#  trans-omega constraint for residue 20
 &rst iat=304,302,300,293, &end
#
#  trans-omega constraint for residue 21
 &rst iat=318,316,314,304, &end
#
#  trans-omega constraint for residue 22
 &rst iat=335,333,331,318, &end
#
#  trans-omega constraint for residue 23
 &rst iat=349,347,345,335, &end
#
#  trans-omega constraint for residue 24
 &rst iat=359,357,355,349, &end
#
#  trans-omega constraint for residue 25
 &rst iat=373,371,369,359, &end
#
#  trans-omega constraint for residue 26
 &rst iat=383,381,379,373, &end
#
#  trans-omega constraint for residue 27
 &rst iat=397,395,393,383, &end
#
#  trans-omega constraint for residue 28
 &rst iat=416,414,412,397, &end
#
#  trans-omega constraint for residue 29
 &rst iat=427,425,423,416, &end
#
#  trans-omega constraint for residue 30
 &rst iat=444,442,440,427, &end
#
#  trans-omega constraint for residue 31
 &rst iat=455,453,451,444, &end
#
#  trans-omega constraint for residue 32
 &rst iat=471,469,467,455, &end
#
#  trans-omega constraint for residue 33
 &rst iat=485,483,481,471, &end
#
#  trans-omega constraint for residue 34
 &rst iat=504,502,500,485, &end
#
#  trans-omega constraint for residue 35
 &rst iat=514,512,510,504, &end
#
#  trans-omega constraint for residue 36
 &rst iat=524,522,520,514, &end
#
#  trans-omega constraint for residue 37
 &rst iat=536,534,532,524, &end
#
#  trans-omega constraint for residue 38
 &rst iat=546,544,542,536, &end
#
#  trans-omega constraint for residue 39
 &rst iat=558,556,554,546, &end
#
#  trans-omega constraint for residue 40
 &rst iat=565,563,561,558, &end
#
#  trans-omega constraint for residue 41
# cis proline
 &rst iat=593,583,581,565, 
   r1=330., r2=350., r3=370., r4=390., rk2 =150., rk3=150.,  &end
#
#  trans-omega constraint for residue 42
 &rst iat=599,597,595,593,
   r1=150., r2=170., r3=190., r4=210., rk2 =150., rk3=150.,  &end
#
#  trans-omega constraint for residue 43
 &rst iat=622,612,610,599, &end
#
#  trans-omega constraint for residue 44
 &rst iat=628,626,624,622, &end
#
#  trans-omega constraint for residue 45
 &rst iat=642,640,638,628, &end
#
#  trans-omega constraint for residue 46
 &rst iat=659,657,655,642, &end
#
#  trans-omega constraint for residue 47
 &rst iat=673,671,669,659, &end
#
#  trans-omega constraint for residue 48
 &rst iat=697,695,693,673, &end
#
#  trans-omega constraint for residue 49
 &rst iat=711,709,707,697, &end
#
#  trans-omega constraint for residue 50
 &rst iat=733,731,729,711, &end
#
#  trans-omega constraint for residue 51
 &rst iat=745,743,741,733, &end
#
#  trans-omega constraint for residue 52
 &rst iat=752,750,748,745, &end
#
#  trans-omega constraint for residue 53
 &rst iat=775,765,763,752, &end
#
#  trans-omega constraint for residue 54
 &rst iat=781,779,777,775, &end
#
#  trans-omega constraint for residue 55
 &rst iat=800,798,796,781, &end
#
#  trans-omega constraint for residue 56
 &rst iat=815,813,811,800, &end
#
#  trans-omega constraint for residue 57
 &rst iat=832,830,828,815, &end
#
#  trans-omega constraint for residue 58
 &rst iat=847,845,843,832, &end
#
#  trans-omega constraint for residue 59
 &rst iat=859,857,855,847, &end
#
#  trans-omega constraint for residue 60
 &rst iat=873,871,869,859, &end
#
#  trans-omega constraint for residue 61
 &rst iat=888,886,884,873, &end
#
#  trans-omega constraint for residue 62
 &rst iat=903,901,899,888, &end
#
#  trans-omega constraint for residue 63
 &rst iat=925,923,921,903, &end
#
#  trans-omega constraint for residue 64
 &rst iat=946,944,942,925, &end
#
#  trans-omega constraint for residue 65
 &rst iat=957,955,953,946, &end
#
#  trans-omega constraint for residue 66
 &rst iat=977,975,973,957, &end
#
#  trans-omega constraint for residue 67
 &rst iat=991,989,987,977, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1012,1010,1008,991, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1024,1022,1020,1012, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1031,1029,1027,1024, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1042,1040,1038,1031, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1057,1055,1053,1042, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1076,1074,1072,1057, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1095,1093,1091,1076, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1114,1112,1110,1095, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1136,1134,1132,1114, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1158,1156,1154,1136, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1174,1172,1170,1158, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1186,1184,1182,1174, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1208,1206,1204,1186, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1219,1217,1215,1208, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1231,1229,1227,1219, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1246,1244,1242,1231, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1256,1254,1252,1246, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1271,1269,1267,1256, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1292,1290,1288,1271, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1311,1309,1307,1292, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1321,1319,1317,1311, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1340,1338,1336,1321, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1350,1348,1346,1340, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1365,1363,1361,1350, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1379,1377,1375,1365, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1401,1399,1397,1379, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1411,1409,1407,1401, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1418,1416,1414,1411, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1433,1431,1429,1418, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1450,1448,1446,1433, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1462,1460,1458,1450, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1472,1470,1468,1462, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1486,1484,1482,1472, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1505,1503,1501,1486, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1522,1520,1518,1505, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1541,1539,1537,1522, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1563,1561,1559,1541, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1579,1577,1575,1563, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1599,1597,1595,1579, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1609,1607,1605,1599, &end
# 1629 atoms read from pdb file ig3.pdb.
# 2 LYS PHI:  (1 GLY C) - (2 LYS N) - (2 LYS CA) - (2 LYS C) -180.0 -40.0
 &rst     iat =     8,    10,    12,    30,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0,
          rk2 = 150.0, rk3 = 150.0,                             &end

# 3 ASP PHI:  (2 LYS C) - (3 ASP N) - (3 ASP CA) - (3 ASP C) -180.0 -40.0
 &rst     iat =    30,    32,    34,    42,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0,    &end

# 4 ILE PHI:  (3 ASP C) - (4 ILE N) - (4 ILE CA) - (4 ILE C) -180.0 -40.0
 &rst     iat =    42,    44,    46,    61,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 5 GLN PHI:  (4 ILE C) - (5 GLN N) - (5 GLN CA) - (5 GLN C) -180.0 -40.0
 &rst     iat =    61,    63,    65,    78,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 6 VAL PHI:  (5 GLN C) - (6 VAL N) - (6 VAL CA) - (6 VAL C) -180.0 -40.0
 &rst     iat =    78,    80,    82,    94,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 7 ILE PHI:  (6 VAL C) - (7 ILE N) - (7 ILE CA) - (7 ILE C) -180.0 -40.0
 &rst     iat =    94,    96,    98,   113,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 8 VAL PHI:  (7 ILE C) - (8 VAL N) - (8 VAL CA) - (8 VAL C) -180.0 -40.0
 &rst     iat =   113,   115,   117,   129,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 8 VAL PHI:  (7 ILE C) - (8 VAL N) - (8 VAL CA) - (8 VAL C) -180.0 -40.0
 &rst     iat =   113,   115,   117,   129,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 57 GLU PHI:  (56 GLN C) - (57 GLU N) - (57 GLU CA) - (57 GLU C) -180.0 -40.0
 &rst     iat =   828,   830,   832,   843,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 60 GLU PHI:  (59 ASN C) - (60 GLU N) - (60 GLU CA) - (60 GLU C) -180.0 -40.0
 &rst     iat =   869,   871,   873,   884,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 70 SER PHI:  (69 GLY C) - (70 SER N) - (70 SER CA) - (70 SER C) -180.0 -40.0
 &rst     iat =  1027,  1029,  1031,  1038,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 106 ALA PHI:  (105 PHE C) - (106 ALA N) - (106 ALA CA) - (106 ALA C) -180.0 -40.0
 &rst     iat =  1595,  1597,  1599,  1605,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 106 ALA PHI:  (105 PHE C) - (106 ALA N) - (106 ALA CA) - (106 ALA C) -180.0 -40.0
 &rst     iat =  1595,  1597,  1599,  1605,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 13 SER PHI:  (12 PRO C) - (13 SER N) - (13 SER CA) - (13 SER C) -180.0 -40.0
 &rst     iat =   187,   189,   191,   198,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 14 VAL PHI:  (13 SER C) - (14 VAL N) - (14 VAL CA) - (14 VAL C) -180.0 -40.0
 &rst     iat =   198,   200,   202,   214,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 15 ARG PHI:  (14 VAL C) - (15 ARG N) - (15 ARG CA) - (15 ARG C) -180.0 -40.0
 &rst     iat =   214,   216,   218,   238,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 20 THR PHI:  (19 SER C) - (20 THR N) - (20 THR CA) - (20 THR C) -180.0 -40.0
 &rst     iat =   300,   302,   304,   314,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 21 MET PHI:  (20 THR C) - (21 MET N) - (21 MET CA) - (21 MET C) -180.0 -40.0
 &rst     iat =   314,   316,   318,   331,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 22 ASN PHI:  (21 MET C) - (22 ASN N) - (22 ASN CA) - (22 ASN C) -180.0 -40.0
 &rst     iat =   331,   333,   335,   345,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 23 ALA PHI:  (22 ASN C) - (23 ALA N) - (23 ALA CA) - (23 ALA C) -180.0 -40.0
 &rst     iat =   345,   347,   349,   355,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 30 SER PHI:  (29 GLN C) - (30 SER N) - (30 SER CA) - (30 SER C) -180.0 -40.0
 &rst     iat =   440,   442,   444,   451,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 31 VAL PHI:  (30 SER C) - (31 VAL N) - (31 VAL CA) - (31 VAL C) -180.0 -40.0
 &rst     iat =   451,   453,   455,   467,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 32 THR PHI:  (31 VAL C) - (32 THR N) - (32 THR CA) - (32 THR C) -180.0 -40.0
 &rst     iat =   467,   469,   471,   481,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 33 LEU PHI:  (32 THR C) - (33 LEU N) - (33 LEU CA) - (33 LEU C) -180.0 -40.0
 &rst     iat =   481,   483,   485,   500,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 34 ALA PHI:  (33 LEU C) - (34 ALA N) - (34 ALA CA) - (34 ALA C) -180.0 -40.0
 &rst     iat =   500,   502,   504,   510,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 35 CYS PHI:  (34 ALA C) - (35 CYS N) - (35 CYS CA) - (35 CYS C) -180.0 -40.0
 &rst     iat =   510,   512,   514,   520,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 36 ASP PHI:  (35 CYS C) - (36 ASP N) - (36 ASP CA) - (36 ASP C) -180.0 -40.0
 &rst     iat =   520,   522,   524,   532,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 37 ALA PHI:  (36 ASP C) - (37 ALA N) - (37 ALA CA) - (37 ALA C) -180.0 -40.0
 &rst     iat =   532,   534,   536,   542,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 38 ASP PHI:  (37 ALA C) - (38 ASP N) - (38 ASP CA) - (38 ASP C) -180.0 -40.0
 &rst     iat =   542,   544,   546,   554,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 44 THR PHI:  (43 PRO C) - (44 THR N) - (44 THR CA) - (44 THR C) -180.0 -40.0
 &rst     iat =   624,   626,   628,   638,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 45 MET PHI:  (44 THR C) - (45 MET N) - (45 MET CA) - (45 MET C) -180.0 -40.0
 &rst     iat =   638,   640,   642,   655,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 46 THR PHI:  (45 MET C) - (46 THR N) - (46 THR CA) - (46 THR C) -180.0 -40.0
 &rst     iat =   655,   657,   659,   669,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 47 TRP PHI:  (46 THR C) - (47 TRP N) - (47 TRP CA) - (47 TRP C) -180.0 -40.0
 &rst     iat =   669,   671,   673,   693,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 48 THR PHI:  (47 TRP C) - (48 THR N) - (48 THR CA) - (48 THR C) -180.0 -40.0
 &rst     iat =   693,   695,   697,   707,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 49 LYS PHI:  (48 THR C) - (49 LYS N) - (49 LYS CA) - (49 LYS C) -180.0 -40.0
 &rst     iat =   707,   709,   711,   729,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 52 GLU PHI:  (51 GLY C) - (52 GLU N) - (52 GLU CA) - (52 GLU C) -180.0 -40.0
 &rst     iat =   748,   750,   752,   763,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 62 LYS PHI:  (61 GLU C) - (62 LYS N) - (62 LYS CA) - (62 LYS C) -180.0 -40.0
 &rst     iat =   899,   901,   903,   921,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 63 TYR PHI:  (62 LYS C) - (63 TYR N) - (63 TYR CA) - (63 TYR C) -180.0 -40.0
 &rst     iat =   921,   923,   925,   942,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 64 SER PHI:  (63 TYR C) - (64 SER N) - (64 SER CA) - (64 SER C) -180.0 -40.0
 &rst     iat =   942,   944,   946,   953,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 65 PHE PHI:  (64 SER C) - (65 PHE N) - (65 PHE CA) - (65 PHE C) -180.0 -40.0
 &rst     iat =   953,   955,   957,   973,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 79 LYS PHI:  (78 ASP C) - (79 LYS N) - (79 LYS CA) - (79 LYS C) 155.0 370.0
 &rst     iat =  1182,  1184,  1186,  1204,
   r1 = 145.0, r2 = 155.0, r3 = 370.0, r4 = 380.0, &end

# 80 SER PHI:  (79 LYS C) - (80 SER N) - (80 SER CA) - (80 SER C) 155.0 370.0
 &rst     iat =  1204,  1206,  1208,  1215,
   r1 = 145.0, r2 = 155.0, r3 = 370.0, r4 = 380.0, &end

# 81 ASP PHI:  (80 SER C) - (81 ASP N) - (81 ASP CA) - (81 ASP C) 155.0 370.0
 &rst     iat =  1215,  1217,  1219,  1227,
   r1 = 145.0, r2 = 155.0, r3 = 370.0, r4 = 380.0, &end

# 83 ALA PHI:  (82 GLU C) - (83 ALA N) - (83 ALA CA) - (83 ALA C) -180.0 -40.0
 &rst     iat =  1242,  1244,  1246,  1252,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 84 GLU PHI:  (83 ALA C) - (84 GLU N) - (84 GLU CA) - (84 GLU C) -180.0 -40.0
 &rst     iat =  1252,  1254,  1256,  1267,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 85 TYR PHI:  (84 GLU C) - (85 TYR N) - (85 TYR CA) - (85 TYR C) -180.0 -40.0
 &rst     iat =  1267,  1269,  1271,  1288,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 86 ILE PHI:  (85 TYR C) - (86 ILE N) - (86 ILE CA) - (86 ILE C) -180.0 -40.0
 &rst     iat =  1288,  1290,  1292,  1307,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 89 ALA PHI:  (88 ILE C) - (89 ALA N) - (89 ALA CA) - (89 ALA C) -180.0 -40.0
 &rst     iat =  1336,  1338,  1340,  1346,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 90 GLU PHI:  (89 ALA C) - (90 GLU N) - (90 GLU CA) - (90 GLU C) -180.0 -40.0
 &rst     iat =  1346,  1348,  1350,  1361,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 91 ASN PHI:  (90 GLU C) - (91 ASN N) - (91 ASN CA) - (91 ASN C) -180.0 -40.0
 &rst     iat =  1361,  1363,  1365,  1375,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 97 ASP PHI:  (96 GLN C) - (97 ASP N) - (97 ASP CA) - (97 ASP C) -180.0 -40.0
 &rst     iat =  1446,  1448,  1450,  1458,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 98 ALA PHI:  (97 ASP C) - (98 ALA N) - (98 ALA CA) - (98 ALA C) -180.0 -40.0
 &rst     iat =  1458,  1460,  1462,  1468,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 99 THR PHI:  (98 ALA C) - (99 THR N) - (99 THR CA) - (99 THR C) -180.0 -40.0
 &rst     iat =  1468,  1470,  1472,  1482,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 100 ILE PHI:  (99 THR C) - (100 ILE N) - (100 ILE CA) - (100 ILE C) -180.0 -40.0
 &rst     iat =  1482,  1484,  1486,  1501,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 102 LEU PHI:  (101 HIS C) - (102 LEU N) - (102 LEU CA) - (102 LEU C) -180.0 -40.0
 &rst     iat =  1518,  1520,  1522,  1537,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 103 LYS PHI:  (102 LEU C) - (103 LYS N) - (103 LYS CA) - (103 LYS C) -180.0 -40.0
 &rst     iat =  1537,  1539,  1541,  1559,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 104 VAL PHI:  (103 LYS C) - (104 VAL N) - (104 VAL CA) - (104 VAL C) -180.0 -40.0
 &rst     iat =  1559,  1561,  1563,  1575,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 104 VAL PHI:  (103 LYS C) - (104 VAL N) - (104 VAL CA) - (104 VAL C) -180.0 -40.0
 &rst     iat =  1559,  1561,  1563,  1575,
   r1 = -190.0, r2 = -180.0, r3 = -40.0, r4 = -30.0, &end

# 26 ASN PHI:  (25 ALA C) - (26 ASN N) - (26 ASN CA) - (26 ASN C)   0.0 120.0
 &rst     iat =   379,   381,   383,   393,
   r1 = -10.0, r2 =   0.0, r3 = 120.0, r4 = 130.0, &end

# 28 SER PHI:  (27 LEU C) - (28 SER N) - (28 SER CA) - (28 SER C)   0.0 120.0
 &rst     iat =   412,   414,   416,   423,
   r1 = -10.0, r2 =   0.0, r3 = 120.0, r4 = 130.0, &end

# 50 ASP PHI:  (49 LYS C) - (50 ASP N) - (50 ASP CA) - (50 ASP C)   0.0 120.0
 &rst     iat =   729,   731,   733,   741,
   r1 = -10.0, r2 =   0.0, r3 = 120.0, r4 = 130.0, &end

# 76 LYS PHI:  (75 LYS C) - (76 LYS N) - (76 LYS CA) - (76 LYS C)   0.0 120.0
 &rst     iat =  1132,  1134,  1136,  1154,
   r1 = -10.0, r2 =   0.0, r3 = 120.0, r4 = 130.0, &end

# 76 LYS PHI:  (75 LYS C) - (76 LYS N) - (76 LYS CA) - (76 LYS C)   0.0 120.0
 &rst     iat =  1132,  1134,  1136,  1154,
   r1 = -10.0, r2 =   0.0, r3 = 120.0, r4 = 130.0, &end

# 12 PRO PSI:  (12 PRO N) - (12 PRO CA) - (12 PRO C) - (13 SER N)  50.0 210.0
 &rst     iat =   175,   185,   187,   189,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 13 SER PSI:  (13 SER N) - (13 SER CA) - (13 SER C) - (14 VAL N)  50.0 210.0
 &rst     iat =   189,   191,   198,   200,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 14 VAL PSI:  (14 VAL N) - (14 VAL CA) - (14 VAL C) - (15 ARG N)  50.0 210.0
 &rst     iat =   200,   202,   214,   216,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 15 ARG PSI:  (15 ARG N) - (15 ARG CA) - (15 ARG C) - (16 ALA N)  50.0 210.0
 &rst     iat =   216,   218,   238,   240,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 20 THR PSI:  (20 THR N) - (20 THR CA) - (20 THR C) - (21 MET N)  50.0 210.0
 &rst     iat =   302,   304,   314,   316,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 21 MET PSI:  (21 MET N) - (21 MET CA) - (21 MET C) - (22 ASN N)  50.0 210.0
 &rst     iat =   316,   318,   331,   333,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 22 ASN PSI:  (22 ASN N) - (22 ASN CA) - (22 ASN C) - (23 ALA N)  50.0 210.0
 &rst     iat =   333,   335,   345,   347,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 23 ALA PSI:  (23 ALA N) - (23 ALA CA) - (23 ALA C) - (24 THR N)  50.0 210.0
 &rst     iat =   347,   349,   355,   357,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 30 SER PSI:  (30 SER N) - (30 SER CA) - (30 SER C) - (31 VAL N)  50.0 210.0
 &rst     iat =   442,   444,   451,   453,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 31 VAL PSI:  (31 VAL N) - (31 VAL CA) - (31 VAL C) - (32 THR N)  50.0 210.0
 &rst     iat =   453,   455,   467,   469,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 32 THR PSI:  (32 THR N) - (32 THR CA) - (32 THR C) - (33 LEU N)  50.0 210.0
 &rst     iat =   469,   471,   481,   483,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 33 LEU PSI:  (33 LEU N) - (33 LEU CA) - (33 LEU C) - (34 ALA N)  50.0 210.0
 &rst     iat =   483,   485,   500,   502,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 34 ALA PSI:  (34 ALA N) - (34 ALA CA) - (34 ALA C) - (35 CYS N)  50.0 210.0
 &rst     iat =   502,   504,   510,   512,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 35 CYS PSI:  (35 CYS N) - (35 CYS CA) - (35 CYS C) - (36 ASP N)  50.0 210.0
 &rst     iat =   512,   514,   520,   522,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 36 ASP PSI:  (36 ASP N) - (36 ASP CA) - (36 ASP C) - (37 ALA N)  50.0 210.0
 &rst     iat =   522,   524,   532,   534,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 37 ALA PSI:  (37 ALA N) - (37 ALA CA) - (37 ALA C) - (38 ASP N)  50.0 210.0
 &rst     iat =   534,   536,   542,   544,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 38 ASP PSI:  (38 ASP N) - (38 ASP CA) - (38 ASP C) - (39 GLY N)  50.0 210.0
 &rst     iat =   544,   546,   554,   556,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 44 THR PSI:  (44 THR N) - (44 THR CA) - (44 THR C) - (45 MET N)  50.0 210.0
 &rst     iat =   626,   628,   638,   640,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 45 MET PSI:  (45 MET N) - (45 MET CA) - (45 MET C) - (46 THR N)  50.0 210.0
 &rst     iat =   640,   642,   655,   657,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 46 THR PSI:  (46 THR N) - (46 THR CA) - (46 THR C) - (47 TRP N)  50.0 210.0
 &rst     iat =   657,   659,   669,   671,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 47 TRP PSI:  (47 TRP N) - (47 TRP CA) - (47 TRP C) - (48 THR N)  50.0 210.0
 &rst     iat =   671,   673,   693,   695,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 48 THR PSI:  (48 THR N) - (48 THR CA) - (48 THR C) - (49 LYS N)  50.0 210.0
 &rst     iat =   695,   697,   707,   709,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 49 LYS PSI:  (49 LYS N) - (49 LYS CA) - (49 LYS C) - (50 ASP N)  50.0 210.0
 &rst     iat =   709,   711,   729,   731,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 52 GLU PSI:  (52 GLU N) - (52 GLU CA) - (52 GLU C) - (53 PRO N)  50.0 210.0
 &rst     iat =   750,   752,   763,   765,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 62 LYS PSI:  (62 LYS N) - (62 LYS CA) - (62 LYS C) - (63 TYR N)  50.0 210.0
 &rst     iat =   901,   903,   921,   923,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 63 TYR PSI:  (63 TYR N) - (63 TYR CA) - (63 TYR C) - (64 SER N)  50.0 210.0
 &rst     iat =   923,   925,   942,   944,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 64 SER PSI:  (64 SER N) - (64 SER CA) - (64 SER C) - (65 PHE N)  50.0 210.0
 &rst     iat =   944,   946,   953,   955,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 65 PHE PSI:  (65 PHE N) - (65 PHE CA) - (65 PHE C) - (66 ASN N)  50.0 210.0
 &rst     iat =   955,   957,   973,   975,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 79 LYS PSI:  (79 LYS N) - (79 LYS CA) - (79 LYS C) - (80 SER N) -120.0  30.0
 &rst     iat =  1184,  1186,  1204,  1206,
   r1 = -130.0, r2 = -120.0, r3 =  30.0, r4 =  40.0, &end

# 80 SER PSI:  (80 SER N) - (80 SER CA) - (80 SER C) - (81 ASP N) -120.0  30.0
 &rst     iat =  1206,  1208,  1215,  1217,
   r1 = -130.0, r2 = -120.0, r3 =  30.0, r4 =  40.0, &end

# 81 ASP PSI:  (81 ASP N) - (81 ASP CA) - (81 ASP C) - (82 GLU N) -120.0  30.0
 &rst     iat =  1217,  1219,  1227,  1229,
   r1 = -130.0, r2 = -120.0, r3 =  30.0, r4 =  40.0, &end

# 83 ALA PSI:  (83 ALA N) - (83 ALA CA) - (83 ALA C) - (84 GLU N)  50.0 210.0
 &rst     iat =  1244,  1246,  1252,  1254,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 84 GLU PSI:  (84 GLU N) - (84 GLU CA) - (84 GLU C) - (85 TYR N)  50.0 210.0
 &rst     iat =  1254,  1256,  1267,  1269,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 85 TYR PSI:  (85 TYR N) - (85 TYR CA) - (85 TYR C) - (86 ILE N)  50.0 210.0
 &rst     iat =  1269,  1271,  1288,  1290,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 86 ILE PSI:  (86 ILE N) - (86 ILE CA) - (86 ILE C) - (87 CYS N)  50.0 210.0
 &rst     iat =  1290,  1292,  1307,  1309,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 89 ALA PSI:  (89 ALA N) - (89 ALA CA) - (89 ALA C) - (90 GLU N)  50.0 210.0
 &rst     iat =  1338,  1340,  1346,  1348,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 90 GLU PSI:  (90 GLU N) - (90 GLU CA) - (90 GLU C) - (91 ASN N)  50.0 210.0
 &rst     iat =  1348,  1350,  1361,  1363,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 91 ASN PSI:  (91 ASN N) - (91 ASN CA) - (91 ASN C) - (92 LYS N)  50.0 210.0
 &rst     iat =  1363,  1365,  1375,  1377,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 97 ASP PSI:  (97 ASP N) - (97 ASP CA) - (97 ASP C) - (98 ALA N)  50.0 210.0
 &rst     iat =  1448,  1450,  1458,  1460,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 98 ALA PSI:  (98 ALA N) - (98 ALA CA) - (98 ALA C) - (99 THR N)  50.0 210.0
 &rst     iat =  1460,  1462,  1468,  1470,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 99 THR PSI:  (99 THR N) - (99 THR CA) - (99 THR C) - (100 ILE N)  50.0 210.0
 &rst     iat =  1470,  1472,  1482,  1484,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 100 ILE PSI:  (100 ILE N) - (100 ILE CA) - (100 ILE C) - (101 HIS N)  50.0 210.0
 &rst     iat =  1484,  1486,  1501,  1503,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 102 LEU PSI:  (102 LEU N) - (102 LEU CA) - (102 LEU C) - (103 LYS N)  50.0 210.0
 &rst     iat =  1520,  1522,  1537,  1539,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 103 LYS PSI:  (103 LYS N) - (103 LYS CA) - (103 LYS C) - (104 VAL N)  50.0 210.0
 &rst     iat =  1539,  1541,  1559,  1561,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 104 VAL PSI:  (104 VAL N) - (104 VAL CA) - (104 VAL C) - (105 PHE N)  50.0 210.0
 &rst     iat =  1561,  1563,  1575,  1577,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 104 VAL PSI:  (104 VAL N) - (104 VAL CA) - (104 VAL C) - (105 PHE N)  50.0 210.0
 &rst     iat =  1561,  1563,  1575,  1577,
   r1 =  40.0, r2 =  50.0, r3 = 210.0, r4 = 220.0, &end

# 4 ILE CHI1:  (4 ILE N) - (4 ILE CA) - (4 ILE CB) - (4 ILE CG1) -80.0 -40.0
 &rst     iat =    44,    46,    48,    54,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 6 VAL CHI1:  (6 VAL N) - (6 VAL CA) - (6 VAL CB) - (6 VAL CG1) 160.0 200.0
 &rst     iat =    80,    82,    84,    86,
   r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end

# 7 ILE CHI1:  (7 ILE N) - (7 ILE CA) - (7 ILE CB) - (7 ILE CG1) -80.0 -40.0
 &rst     iat =    96,    98,   100,   106,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 8 VAL CHI1:  (8 VAL N) - (8 VAL CA) - (8 VAL CB) - (8 VAL CG1) 160.0 200.0
 &rst     iat =   115,   117,   119,   121,
   r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end

# 10 VAL CHI1:  (10 VAL N) - (10 VAL CA) - (10 VAL CB) - (10 VAL CG1) 160.0 200.0
 &rst     iat =   145,   147,   149,   151,
   r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end

# 20 THR CHI1:  (20 THR N) - (20 THR CA) - (20 THR CB) - (20 THR OG1) -80.0 -40.0
 &rst     iat =   302,   304,   306,   312,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 21 MET CHI1:  (21 MET N) - (21 MET CA) - (21 MET CB) - (21 MET CG) -80.0 -40.0
 &rst     iat =   316,   318,   320,   323,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 24 THR CHI1:  (24 THR N) - (24 THR CA) - (24 THR CB) - (24 THR OG1) -80.0 -40.0
 &rst     iat =   357,   359,   361,   367,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 31 VAL CHI1:  (31 VAL N) - (31 VAL CA) - (31 VAL CB) - (31 VAL CG1) 160.0 200.0
 &rst     iat =   453,   455,   457,   459,
   r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end

# 33 LEU CHI1:  (33 LEU N) - (33 LEU CA) - (33 LEU CB) - (33 LEU CG)  40.0  80.0
 &rst     iat =   483,   485,   487,   490,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end

# 36 ASP CHI1:  (36 ASP N) - (36 ASP CA) - (36 ASP CB) - (36 ASP CG)  40.0  80.0
 &rst     iat =   522,   524,   526,   529,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end

# 44 THR CHI1:  (44 THR N) - (44 THR CA) - (44 THR CB) - (44 THR OG1) -80.0 -40.0
 &rst     iat =   626,   628,   630,   636,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 45 MET CHI1:  (45 MET N) - (45 MET CA) - (45 MET CB) - (45 MET CG)  40.0  80.0
 &rst     iat =   640,   642,   644,   647,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end

# 47 TRP CHI1:  (47 TRP N) - (47 TRP CA) - (47 TRP CB) - (47 TRP CG)  40.0  80.0
 &rst     iat =   671,   673,   675,   678,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end

# 52 GLU CHI1:  (52 GLU N) - (52 GLU CA) - (52 GLU CB) - (52 GLU CG)  40.0  80.0
 &rst     iat =   750,   752,   754,   757,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end

# 54 ILE CHI1:  (54 ILE N) - (54 ILE CA) - (54 ILE CB) - (54 ILE CG1) -80.0 -40.0
 &rst     iat =   779,   781,   783,   789,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 55 GLU CHI1:  (55 GLU N) - (55 GLU CA) - (55 GLU CB) - (55 GLU CG)  40.0  80.0
 &rst     iat =   798,   800,   802,   805,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end

# 65 PHE CHI1:  (65 PHE N) - (65 PHE CA) - (65 PHE CB) - (65 PHE CG)  40.0  80.0
 &rst     iat =   955,   957,   959,   962,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end

# 73 ILE CHI1:  (73 ILE N) - (73 ILE CA) - (73 ILE CB) - (73 ILE CG1) -80.0 -40.0
 &rst     iat =  1074,  1076,  1078,  1084,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 74 ILE CHI1:  (74 ILE N) - (74 ILE CA) - (74 ILE CB) - (74 ILE CG1) -80.0 -40.0
 &rst     iat =  1093,  1095,  1097,  1103,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 77 VAL CHI1:  (77 VAL N) - (77 VAL CA) - (77 VAL CB) - (77 VAL CG1) 160.0 200.0
 &rst     iat =  1156,  1158,  1160,  1162,
   r1 = 150.0, r2 = 160.0, r3 = 200.0, r4 = 210.0, &end

# 80 SER CHI1:  (80 SER N) - (80 SER CA) - (80 SER CB) - (80 SER OG)  40.0  80.0
 &rst     iat =  1206,  1208,  1210,  1213,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end

# 86 ILE CHI1:  (86 ILE N) - (86 ILE CA) - (86 ILE CB) - (86 ILE CG1) -80.0 -40.0
 &rst     iat =  1290,  1292,  1294,  1300,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 87 CYS CHI1:  (87 CYS N) - (87 CYS CA) - (87 CYS CB) - (87 CYS SG)  40.0  80.0
 &rst     iat =  1309,  1311,  1313,  1316,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end

# 88 ILE CHI1:  (88 ILE N) - (88 ILE CA) - (88 ILE CB) - (88 ILE CG1) -80.0 -40.0
 &rst     iat =  1319,  1321,  1323,  1329,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 99 THR CHI1:  (99 THR N) - (99 THR CA) - (99 THR CB) - (99 THR OG1) -80.0 -40.0
 &rst     iat =  1470,  1472,  1474,  1480,
   r1 = -90.0, r2 = -80.0, r3 = -40.0, r4 = -30.0, &end

# 105 PHE CHI1:  (105 PHE N) - (105 PHE CA) - (105 PHE CB) - (105 PHE CG)  40.0  80.0
 &rst     iat =  1577,  1579,  1581,  1584,
   r1 =  30.0, r2 =  40.0, r3 =  80.0, r4 =  90.0, &end




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