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
554735 2rsc 11468 cing 1-original 4 AMBER dihedral angle


# 1893 atoms read from pdb file leap.pdb.
# 9 LEU PHI:  (8 GLY C)-(9 LEU N)-(9 LEU CA)-(9 LEU C) -91.9 -31.9
 &rst     iat =   119,   121,   123,   138,
   r1 = -92.9, r2 = -91.9, r3 = -31.9, r4 = -30.9,
   rk2 = 60.0, rk3 = 60.0,    &end
# 9 LEU PSI:  (9 LEU N)-(9 LEU CA)-(9 LEU C)-(10 VAL N) -71.6 -11.6
 &rst     iat =   121,   123,   138,   140,
   r1 = -72.6, r2 = -71.6, r3 = -11.6, r4 = -10.6,
 &end
# 10 VAL PHI:  (9 LEU C)-(10 VAL N)-(10 VAL CA)-(10 VAL C) -92.1 -32.1
 &rst     iat =   138,   140,   142,   154,
   r1 = -93.1, r2 = -92.1, r3 = -32.1, r4 = -31.1,
 &end
# 10 VAL PSI:  (10 VAL N)-(10 VAL CA)-(10 VAL C)-(11 HIE N) -72.9 -12.9
 &rst     iat =   140,   142,   154,   156,
   r1 = -73.9, r2 = -72.9, r3 = -12.9, r4 = -11.9,
 &end
# 11 HIS PHI:  (10 VAL C)-(11 HIE N)-(11 HIE CA)-(11 HIE C) -90.7 -30.7
 &rst     iat =   154,   156,   158,   171,
   r1 = -91.7, r2 = -90.7, r3 = -30.7, r4 = -29.7,
 &end
# 11 HIS PSI:  (11 HIE N)-(11 HIE CA)-(11 HIE C)-(12 GLU N) -64.3  -4.3
 &rst     iat =   156,   158,   171,   173,
   r1 = -65.3, r2 = -64.3, r3 =  -4.3, r4 =  -3.3,
 &end
# 12 GLU PHI:  (11 HIE C)-(12 GLU N)-(12 GLU CA)-(12 GLU C) -98.6 -38.6
 &rst     iat =   171,   173,   175,   186,
   r1 = -99.6, r2 = -98.6, r3 = -38.6, r4 = -37.6,
 &end
# 12 GLU PSI:  (12 GLU N)-(12 GLU CA)-(12 GLU C)-(13 LEU N) -70.3 -10.3
 &rst     iat =   173,   175,   186,   188,
   r1 = -71.3, r2 = -70.3, r3 = -10.3, r4 =  -9.3,
 &end
# 13 LEU PHI:  (12 GLU C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -93.2 -33.2
 &rst     iat =   186,   188,   190,   205,
   r1 = -94.2, r2 = -93.2, r3 = -33.2, r4 = -32.2,
 &end
# 13 LEU PSI:  (13 LEU N)-(13 LEU CA)-(13 LEU C)-(14 ARG N) -66.2  -6.2
 &rst     iat =   188,   190,   205,   207,
   r1 = -67.2, r2 = -66.2, r3 =  -6.2, r4 =  -5.2,
 &end
# 14 ARG PHI:  (13 LEU C)-(14 ARG N)-(14 ARG CA)-(14 ARG C) -93.9 -33.9
 &rst     iat =   205,   207,   209,   229,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end
# 14 ARG PSI:  (14 ARG N)-(14 ARG CA)-(14 ARG C)-(15 LYS N) -65.3  -5.3
 &rst     iat =   207,   209,   229,   231,
   r1 = -66.3, r2 = -65.3, r3 =  -5.3, r4 =  -4.3,
 &end
# 15 LYS PHI:  (14 ARG C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) -105.9 -45.9
 &rst     iat =   229,   231,   233,   251,
   r1 = -106.9, r2 = -105.9, r3 = -45.9, r4 = -44.9,
 &end
# 15 LYS PSI:  (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 HIE N) -47.0  13.0
 &rst     iat =   231,   233,   251,   253,
   r1 = -48.0, r2 = -47.0, r3 =  13.0, r4 =  14.0,
 &end
# 17 GLY PHI:  (16 HIE C)-(17 GLY N)-(17 GLY CA)-(17 GLY C)  52.8 112.8
 &rst     iat =   268,   270,   272,   275,
   r1 =  51.8, r2 =  52.8, r3 = 112.8, r4 = 113.8,
 &end
# 17 GLY PSI:  (17 GLY N)-(17 GLY CA)-(17 GLY C)-(18 PHE N) -16.1  43.9
 &rst     iat =   270,   272,   275,   277,
   r1 = -17.1, r2 = -16.1, r3 =  43.9, r4 =  44.9,
 &end
# 18 PHE PHI:  (17 GLY C)-(18 PHE N)-(18 PHE CA)-(18 PHE C) -113.4 -53.4
 &rst     iat =   275,   277,   279,   295,
   r1 = -114.4, r2 = -113.4, r3 = -53.4, r4 = -52.4,
 &end
# 18 PHE PSI:  (18 PHE N)-(18 PHE CA)-(18 PHE C)-(19 GLU N) 108.9 168.9
 &rst     iat =   277,   279,   295,   297,
   r1 = 107.9, r2 = 108.9, r3 = 168.9, r4 = 169.9,
 &end
# 19 GLU PHI:  (18 PHE C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) -105.1 -45.1
 &rst     iat =   295,   297,   299,   310,
   r1 = -106.1, r2 = -105.1, r3 = -45.1, r4 = -44.1,
 &end
# 19 GLU PSI:  (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 GLU N)  99.5 159.5
 &rst     iat =   297,   299,   310,   312,
   r1 =  98.5, r2 =  99.5, r3 = 159.5, r4 = 160.5,
 &end
# 23 MET PHI:  (22 LEU C)-(23 MET N)-(23 MET CA)-(23 MET C) -88.1 -28.1
 &rst     iat =   358,   360,   362,   375,
   r1 = -89.1, r2 = -88.1, r3 = -28.1, r4 = -27.1,
 &end
# 23 MET PSI:  (23 MET N)-(23 MET CA)-(23 MET C)-(24 ARG N) -73.8 -13.8
 &rst     iat =   360,   362,   375,   377,
   r1 = -74.8, r2 = -73.8, r3 = -13.8, r4 = -12.8,
 &end
# 24 ARG PHI:  (23 MET C)-(24 ARG N)-(24 ARG CA)-(24 ARG C) -92.3 -32.3
 &rst     iat =   375,   377,   379,   399,
   r1 = -93.3, r2 = -92.3, r3 = -32.3, r4 = -31.3,
 &end
# 24 ARG PSI:  (24 ARG N)-(24 ARG CA)-(24 ARG C)-(25 ASN N) -67.6  -7.6
 &rst     iat =   377,   379,   399,   401,
   r1 = -68.6, r2 = -67.6, r3 =  -7.6, r4 =  -6.6,
 &end
# 25 ASN PHI:  (24 ARG C)-(25 ASN N)-(25 ASN CA)-(25 ASN C) -89.1 -29.1
 &rst     iat =   399,   401,   403,   413,
   r1 = -90.1, r2 = -89.1, r3 = -29.1, r4 = -28.1,
 &end
# 25 ASN PSI:  (25 ASN N)-(25 ASN CA)-(25 ASN C)-(26 TRP N) -74.1 -14.1
 &rst     iat =   401,   403,   413,   415,
   r1 = -75.1, r2 = -74.1, r3 = -14.1, r4 = -13.1,
 &end
# 26 TRP PHI:  (25 ASN C)-(26 TRP N)-(26 TRP CA)-(26 TRP C) -94.7 -34.7
 &rst     iat =   413,   415,   417,   437,
   r1 = -95.7, r2 = -94.7, r3 = -34.7, r4 = -33.7,
 &end
# 26 TRP PSI:  (26 TRP N)-(26 TRP CA)-(26 TRP C)-(27 VAL N) -76.1 -16.1
 &rst     iat =   415,   417,   437,   439,
   r1 = -77.1, r2 = -76.1, r3 = -16.1, r4 = -15.1,
 &end
# 27 VAL PHI:  (26 TRP C)-(27 VAL N)-(27 VAL CA)-(27 VAL C) -93.5 -33.5
 &rst     iat =   437,   439,   441,   453,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end
# 27 VAL PSI:  (27 VAL N)-(27 VAL CA)-(27 VAL C)-(28 CYX N) -70.7 -10.7
 &rst     iat =   439,   441,   453,   455,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end
# 28 CYS CHI1:  (28 CYX N)-(28 CYX CA)-(28 CYX CB)-(28 CYX SG) 135.0 225.0
 &rst     iat =   455,   457,   459,   462,
   r1 = 134.0, r2 = 135.0, r3 = 225.0, r4 = 226.0,
 &end
# 29 LEU CHI1:  (29 LEU N)-(29 LEU CA)-(29 LEU CB)-(29 LEU CG) 135.0 225.0
 &rst     iat =   465,   467,   469,   472,
   r1 = 134.0, r2 = 135.0, r3 = 225.0, r4 = 226.0,
 &end
# 29 LEU PHI:  (28 CYX C)-(29 LEU N)-(29 LEU CA)-(29 LEU C) -94.4 -34.4
 &rst     iat =   463,   465,   467,   482,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end
# 29 LEU PSI:  (29 LEU N)-(29 LEU CA)-(29 LEU C)-(30 VAL N) -75.2 -15.2
 &rst     iat =   465,   467,   482,   484,
   r1 = -76.2, r2 = -75.2, r3 = -15.2, r4 = -14.2,
 &end
# 30 VAL PHI:  (29 LEU C)-(30 VAL N)-(30 VAL CA)-(30 VAL C) -92.6 -32.6
 &rst     iat =   482,   484,   486,   498,
   r1 = -93.6, r2 = -92.6, r3 = -32.6, r4 = -31.6,
 &end
# 30 VAL PSI:  (30 VAL N)-(30 VAL CA)-(30 VAL C)-(31 GLU N) -76.2 -16.2
 &rst     iat =   484,   486,   498,   500,
   r1 = -77.2, r2 = -76.2, r3 = -16.2, r4 = -15.2,
 &end
# 31 GLU PHI:  (30 VAL C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -92.5 -32.5
 &rst     iat =   498,   500,   502,   513,
   r1 = -93.5, r2 = -92.5, r3 = -32.5, r4 = -31.5,
 &end
# 31 GLU PSI:  (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 HIE N) -69.6  -9.6
 &rst     iat =   500,   502,   513,   515,
   r1 = -70.6, r2 = -69.6, r3 =  -9.6, r4 =  -8.6,
 &end
# 41 THR PHI:  (40 LYS C)-(41 THR N)-(41 THR CA)-(41 THR C) -153.0 -93.0
 &rst     iat =   650,   652,   654,   664,
   r1 = -154.0, r2 = -153.0, r3 = -93.0, r4 = -92.0,
 &end
# 41 THR PSI:  (41 THR N)-(41 THR CA)-(41 THR C)-(42 ASN N) 112.8 172.8
 &rst     iat =   652,   654,   664,   666,
   r1 = 111.8, r2 = 112.8, r3 = 172.8, r4 = 173.8,
 &end
# 42 ASN PHI:  (41 THR C)-(42 ASN N)-(42 ASN CA)-(42 ASN C) -164.2 -104.2
 &rst     iat =   664,   666,   668,   678,
   r1 = -165.2, r2 = -164.2, r3 = -104.2, r4 = -103.2,
 &end
# 42 ASN PSI:  (42 ASN N)-(42 ASN CA)-(42 ASN C)-(43 THR N) 109.6 169.6
 &rst     iat =   666,   668,   678,   680,
   r1 = 108.6, r2 = 109.6, r3 = 169.6, r4 = 170.6,
 &end
# 43 THR PHI:  (42 ASN C)-(43 THR N)-(43 THR CA)-(43 THR C) -141.0 -81.0
 &rst     iat =   678,   680,   682,   692,
   r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
 &end
# 43 THR PSI:  (43 THR N)-(43 THR CA)-(43 THR C)-(44 ASN N)  89.1 149.1
 &rst     iat =   680,   682,   692,   694,
   r1 =  88.1, r2 =  89.1, r3 = 149.1, r4 = 150.1,
 &end
# 49 LYS PHI:  (48 SER C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -177.8 -117.8
 &rst     iat =   762,   764,   766,   784,
   r1 = -178.8, r2 = -177.8, r3 = -117.8, r4 = -116.8,
 &end
# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 ASP N) 122.4 182.4
 &rst     iat =   764,   766,   784,   786,
   r1 = 121.4, r2 = 122.4, r3 = 182.4, r4 = 183.4,
 &end
# 50 ASP PHI:  (49 LYS C)-(50 ASP N)-(50 ASP CA)-(50 ASP C) -153.2 -93.2
 &rst     iat =   784,   786,   788,   796,
   r1 = -154.2, r2 = -153.2, r3 = -93.2, r4 = -92.2,
 &end
# 50 ASP PSI:  (50 ASP N)-(50 ASP CA)-(50 ASP C)-(51 TYR N) 120.2 180.2
 &rst     iat =   786,   788,   796,   798,
   r1 = 119.2, r2 = 120.2, r3 = 180.2, r4 = 181.2,
 &end
# 51 TYR PHI:  (50 ASP C)-(51 TYR N)-(51 TYR CA)-(51 TYR C) -158.3 -98.3
 &rst     iat =   796,   798,   800,   817,
   r1 = -159.3, r2 = -158.3, r3 = -98.3, r4 = -97.3,
 &end
# 51 TYR PSI:  (51 TYR N)-(51 TYR CA)-(51 TYR C)-(52 GLY N) 106.2 166.2
 &rst     iat =   798,   800,   817,   819,
   r1 = 105.2, r2 = 106.2, r3 = 166.2, r4 = 167.2,
 &end
# 56 ILE PHI:  (55 GLN C)-(56 ILE N)-(56 ILE CA)-(56 ILE C) -123.7 -63.7
 &rst     iat =   880,   882,   884,   899,
   r1 = -124.7, r2 = -123.7, r3 = -63.7, r4 = -62.7,
 &end
# 56 ILE PSI:  (56 ILE N)-(56 ILE CA)-(56 ILE C)-(57 ASN N) 105.7 165.7
 &rst     iat =   882,   884,   899,   901,
   r1 = 104.7, r2 = 105.7, r3 = 165.7, r4 = 166.7,
 &end
# 57 ASN PHI:  (56 ILE C)-(57 ASN N)-(57 ASN CA)-(57 ASN C) -161.9 -101.9
 &rst     iat =   899,   901,   903,   913,
   r1 = -162.9, r2 = -161.9, r3 = -101.9, r4 = -100.9,
 &end
# 57 ASN PSI:  (57 ASN N)-(57 ASN CA)-(57 ASN C)-(58 ASP N) 112.6 172.6
 &rst     iat =   901,   903,   913,   915,
   r1 = 111.6, r2 = 112.6, r3 = 172.6, r4 = 173.6,
 &end
# 72 CYS CHI1:  (72 CYX N)-(72 CYX CA)-(72 CYX CB)-(72 CYX SG) -105.0 -15.0
 &rst     iat =  1122,  1124,  1126,  1129,
   r1 = -106.0, r2 = -105.0, r3 = -15.0, r4 = -14.0,
 &end
# 76 CYS CHI1:  (76 CYX N)-(76 CYX CA)-(76 CYX CB)-(76 CYX SG) -105.0 -15.0
 &rst     iat =  1184,  1186,  1188,  1191,
   r1 = -106.0, r2 = -105.0, r3 = -15.0, r4 = -14.0,
 &end
# 85 THR PHI:  (84 ILE C)-(85 THR N)-(85 THR CA)-(85 THR C) -86.2 -26.2
 &rst     iat =  1310,  1312,  1314,  1324,
   r1 = -87.2, r2 = -86.2, r3 = -26.2, r4 = -25.2,
 &end
# 85 THR PSI:  (85 THR N)-(85 THR CA)-(85 THR C)-(86 LYS N) -77.9 -17.9
 &rst     iat =  1312,  1314,  1324,  1326,
   r1 = -78.9, r2 = -77.9, r3 = -17.9, r4 = -16.9,
 &end
# 86 LYS PHI:  (85 THR C)-(86 LYS N)-(86 LYS CA)-(86 LYS C) -93.3 -33.3
 &rst     iat =  1324,  1326,  1328,  1346,
   r1 = -94.3, r2 = -93.3, r3 = -33.3, r4 = -32.3,
 &end
# 86 LYS PSI:  (86 LYS N)-(86 LYS CA)-(86 LYS C)-(87 ALA N) -71.0 -11.0
 &rst     iat =  1326,  1328,  1346,  1348,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 87 ALA PHI:  (86 LYS C)-(87 ALA N)-(87 ALA CA)-(87 ALA C) -93.8 -33.8
 &rst     iat =  1346,  1348,  1350,  1356,
   r1 = -94.8, r2 = -93.8, r3 = -33.8, r4 = -32.8,
 &end
# 87 ALA PSI:  (87 ALA N)-(87 ALA CA)-(87 ALA C)-(88 ALA N) -70.3 -10.3
 &rst     iat =  1348,  1350,  1356,  1358,
   r1 = -71.3, r2 = -70.3, r3 = -10.3, r4 =  -9.3,
 &end
# 88 ALA PHI:  (87 ALA C)-(88 ALA N)-(88 ALA CA)-(88 ALA C) -93.4 -33.4
 &rst     iat =  1356,  1358,  1360,  1366,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end
# 88 ALA PSI:  (88 ALA N)-(88 ALA CA)-(88 ALA C)-(89 LYS N) -71.4 -11.4
 &rst     iat =  1358,  1360,  1366,  1368,
   r1 = -72.4, r2 = -71.4, r3 = -11.4, r4 = -10.4,
 &end
# 89 LYS PHI:  (88 ALA C)-(89 LYS N)-(89 LYS CA)-(89 LYS C) -108.5 -48.5
 &rst     iat =  1366,  1368,  1370,  1388,
   r1 = -109.5, r2 = -108.5, r3 = -48.5, r4 = -47.5,
 &end
# 89 LYS PSI:  (89 LYS N)-(89 LYS CA)-(89 LYS C)-(90 CYX N) -57.1   2.9
 &rst     iat =  1368,  1370,  1388,  1390,
   r1 = -58.1, r2 = -57.1, r3 =   2.9, r4 =   3.9,
 &end
# 90 CYS CHI1:  (90 CYX N)-(90 CYX CA)-(90 CYX CB)-(90 CYX SG) 135.0 225.0
 &rst     iat =  1390,  1392,  1394,  1397,
   r1 = 134.0, r2 = 135.0, r3 = 225.0, r4 = 226.0,
 &end
# 91 ALA PHI:  (90 CYX C)-(91 ALA N)-(91 ALA CA)-(91 ALA C) -90.3 -30.3
 &rst     iat =  1398,  1400,  1402,  1408,
   r1 = -91.3, r2 = -90.3, r3 = -30.3, r4 = -29.3,
 &end
# 91 ALA PSI:  (91 ALA N)-(91 ALA CA)-(91 ALA C)-(92 LYS N) -72.0 -12.0
 &rst     iat =  1400,  1402,  1408,  1410,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 92 LYS PHI:  (91 ALA C)-(92 LYS N)-(92 LYS CA)-(92 LYS C) -92.8 -32.8
 &rst     iat =  1408,  1410,  1412,  1430,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end
# 92 LYS PSI:  (92 LYS N)-(92 LYS CA)-(92 LYS C)-(93 LYS N) -66.4  -6.4
 &rst     iat =  1410,  1412,  1430,  1432,
   r1 = -67.4, r2 = -66.4, r3 =  -6.4, r4 =  -5.4,
 &end
# 93 LYS PHI:  (92 LYS C)-(93 LYS N)-(93 LYS CA)-(93 LYS C) -92.0 -32.0
 &rst     iat =  1430,  1432,  1434,  1452,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 93 LYS PSI:  (93 LYS N)-(93 LYS CA)-(93 LYS C)-(94 ILE N) -73.8 -13.8
 &rst     iat =  1432,  1434,  1452,  1454,
   r1 = -74.8, r2 = -73.8, r3 = -13.8, r4 = -12.8,
 &end
# 94 ILE PHI:  (93 LYS C)-(94 ILE N)-(94 ILE CA)-(94 ILE C) -91.8 -31.8
 &rst     iat =  1452,  1454,  1456,  1471,
   r1 = -92.8, r2 = -91.8, r3 = -31.8, r4 = -30.8,
 &end
# 94 ILE PSI:  (94 ILE N)-(94 ILE CA)-(94 ILE C)-(95 TYR N) -72.8 -12.8
 &rst     iat =  1454,  1456,  1471,  1473,
   r1 = -73.8, r2 = -72.8, r3 = -12.8, r4 = -11.8,
 &end
# 95 TYR PHI:  (94 ILE C)-(95 TYR N)-(95 TYR CA)-(95 TYR C) -93.7 -33.7
 &rst     iat =  1471,  1473,  1475,  1492,
   r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7,
 &end
# 95 TYR PSI:  (95 TYR N)-(95 TYR CA)-(95 TYR C)-(96 LYS N) -71.8 -11.8
 &rst     iat =  1473,  1475,  1492,  1494,
   r1 = -72.8, r2 = -71.8, r3 = -11.8, r4 = -10.8,
 &end
# 96 LYS PHI:  (95 TYR C)-(96 LYS N)-(96 LYS CA)-(96 LYS C) -98.4 -38.4
 &rst     iat =  1492,  1494,  1496,  1514,
   r1 = -99.4, r2 = -98.4, r3 = -38.4, r4 = -37.4,
 &end
# 96 LYS PSI:  (96 LYS N)-(96 LYS CA)-(96 LYS C)-(97 ARG N) -62.4  -2.4
 &rst     iat =  1494,  1496,  1514,  1516,
   r1 = -63.4, r2 = -62.4, r3 =  -2.4, r4 =  -1.4,
 &end
# 97 ARG PHI:  (96 LYS C)-(97 ARG N)-(97 ARG CA)-(97 ARG C) -115.2 -55.2
 &rst     iat =  1514,  1516,  1518,  1538,
   r1 = -116.2, r2 = -115.2, r3 = -55.2, r4 = -54.2,
 &end
# 97 ARG PSI:  (97 ARG N)-(97 ARG CA)-(97 ARG C)-(98 HIE N) -53.9   6.1
 &rst     iat =  1516,  1518,  1538,  1540,
   r1 = -54.9, r2 = -53.9, r3 =   6.1, r4 =   7.1,
 &end
# 99 ARG PHI:  (98 HIE C)-(99 ARG N)-(99 ARG CA)-(99 ARG C) -115.2 -55.2
 &rst     iat =  1555,  1557,  1559,  1579,
   r1 = -116.2, r2 = -115.2, r3 = -55.2, r4 = -54.2,
 &end
# 99 ARG PSI:  (99 ARG N)-(99 ARG CA)-(99 ARG C)-(100 PHE N) -53.9   6.1
 &rst     iat =  1557,  1559,  1579,  1581,
   r1 = -54.9, r2 = -53.9, r3 =   6.1, r4 =   7.1,
 &end
# 101 ASP PHI:  (100 PHE C)-(101 ASP N)-(101 ASP CA)-(101 ASP C) -97.2 -37.2
 &rst     iat =  1599,  1601,  1603,  1611,
   r1 = -98.2, r2 = -97.2, r3 = -37.2, r4 = -36.2,
 &end
# 101 ASP PSI:  (101 ASP N)-(101 ASP CA)-(101 ASP C)-(102 ALA N) -51.8   8.2
 &rst     iat =  1601,  1603,  1611,  1613,
   r1 = -52.8, r2 = -51.8, r3 =   8.2, r4 =   9.2,
 &end
# 102 ALA PHI:  (101 ASP C)-(102 ALA N)-(102 ALA CA)-(102 ALA C) -116.3 -56.3
 &rst     iat =  1611,  1613,  1615,  1621,
   r1 = -117.3, r2 = -116.3, r3 = -56.3, r4 = -55.3,
 &end
# 102 ALA PSI:  (102 ALA N)-(102 ALA CA)-(102 ALA C)-(103 TRP N) -42.1  17.9
 &rst     iat =  1613,  1615,  1621,  1623,
   r1 = -43.1, r2 = -42.1, r3 =  17.9, r4 =  18.9,
 &end
# 104 TYR PHI:  (103 TRP C)-(104 TYR N)-(104 TYR CA)-(104 TYR C) -89.4 -29.4
 &rst     iat =  1645,  1647,  1649,  1666,
   r1 = -90.4, r2 = -89.4, r3 = -29.4, r4 = -28.4,
 &end
# 104 TYR PSI:  (104 TYR N)-(104 TYR CA)-(104 TYR C)-(105 GLY N) -59.0   1.0
 &rst     iat =  1647,  1649,  1666,  1668,
   r1 = -60.0, r2 = -59.0, r3 =   1.0, r4 =   2.0,
 &end
# 105 GLY PHI:  (104 TYR C)-(105 GLY N)-(105 GLY CA)-(105 GLY C) -93.7 -33.7
 &rst     iat =  1666,  1668,  1670,  1673,
   r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7,
 &end
# 105 GLY PSI:  (105 GLY N)-(105 GLY CA)-(105 GLY C)-(106 TRP N) -63.2  -3.2
 &rst     iat =  1668,  1670,  1673,  1675,
   r1 = -64.2, r2 = -63.2, r3 =  -3.2, r4 =  -2.2,
 &end
# 106 TRP PHI:  (105 GLY C)-(106 TRP N)-(106 TRP CA)-(106 TRP C) -96.2 -36.2
 &rst     iat =  1673,  1675,  1677,  1697,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end
# 106 TRP PSI:  (106 TRP N)-(106 TRP CA)-(106 TRP C)-(107 LYS N) -70.4 -10.4
 &rst     iat =  1675,  1677,  1697,  1699,
   r1 = -71.4, r2 = -70.4, r3 = -10.4, r4 =  -9.4,
 &end
# 107 LYS PHI:  (106 TRP C)-(107 LYS N)-(107 LYS CA)-(107 LYS C) -94.8 -34.8
 &rst     iat =  1697,  1699,  1701,  1719,
   r1 = -95.8, r2 = -94.8, r3 = -34.8, r4 = -33.8,
 &end
# 107 LYS PSI:  (107 LYS N)-(107 LYS CA)-(107 LYS C)-(108 ASN N) -70.4 -10.4
 &rst     iat =  1699,  1701,  1719,  1721,
   r1 = -71.4, r2 = -70.4, r3 = -10.4, r4 =  -9.4,
 &end
# 108 ASN PHI:  (107 LYS C)-(108 ASN N)-(108 ASN CA)-(108 ASN C) -98.2 -38.2
 &rst     iat =  1719,  1721,  1723,  1733,
   r1 = -99.2, r2 = -98.2, r3 = -38.2, r4 = -37.2,
 &end
# 108 ASN PSI:  (108 ASN N)-(108 ASN CA)-(108 ASN C)-(109 HIE N) -60.0   0.0
 &rst     iat =  1721,  1723,  1733,  1735,
   r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
 &end
# 110 CYS CHI1:  (110 CYX N)-(110 CYX CA)-(110 CYX CB)-(110 CYX SG) -105.0 -15.0
 &rst     iat =  1752,  1754,  1756,  1759,
   r1 = -106.0, r2 = -105.0, r3 = -15.0, r4 = -14.0,
 &end
# 114 LEU PHI:  (113 SER C)-(114 LEU N)-(114 LEU CA)-(114 LEU C) -110.1 -50.1
 &rst     iat =  1795,  1797,  1799,  1814,
   r1 = -111.1, r2 = -110.1, r3 = -50.1, r4 = -49.1,
 &end
# 114 LEU PSI:  (114 LEU N)-(114 LEU CA)-(114 LEU C)-(115 PRO N) 112.6 172.6
 &rst     iat =  1797,  1799,  1814,  1816,
   r1 = 111.6, r2 = 112.6, r3 = 172.6, r4 = 173.6,
 &end
# 115 PRO PSI:  (115 PRO N)-(115 PRO CA)-(115 PRO C)-(116 ASP N) 120.5 180.5
 &rst     iat =  1816,  1826,  1828,  1830,
   r1 = 119.5, r2 = 120.5, r3 = 180.5, r4 = 181.5,
 &end
# 116 ASP PHI:  (115 PRO C)-(116 ASP N)-(116 ASP CA)-(116 ASP C) -137.4 -77.4
 &rst     iat =  1828,  1830,  1832,  1840,
   r1 = -138.4, r2 = -137.4, r3 = -77.4, r4 = -76.4,
 &end
# 116 ASP PSI:  (116 ASP N)-(116 ASP CA)-(116 ASP C)-(117 ILE N)  98.1 158.1
 &rst     iat =  1830,  1832,  1840,  1842,
   r1 =  97.1, r2 =  98.1, r3 = 158.1, r4 = 159.1,
 &end
# 118 SER PHI:  (117 ILE C)-(118 SER N)-(118 SER CA)-(118 SER C) -88.4 -28.4
 &rst     iat =  1859,  1861,  1863,  1870,
   r1 = -89.4, r2 = -88.4, r3 = -28.4, r4 = -27.4,
 &end
# 118 SER PSI:  (118 SER N)-(118 SER CA)-(118 SER C)-(119 SER N) -59.3   0.7
 &rst     iat =  1861,  1863,  1870,  1872,
   r1 = -60.3, r2 = -59.3, r3 =   0.7, r4 =   1.7,
 &end



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