NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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653185 |
6xyv   |
34487 | cing | 1-original | 2 | AMBER | dihedral angle |
# 820 atoms read from pdb file prm_1D.pdb.
# 2 THR PHI: (1 VAL C)-(2 THR N)-(2 THR CA)-(2 THR C) -133.0 7.0
&rst iat = 17, 19, 21, 31,
r1 = -134.0, r2 = -133.0, r3 = 7.0, r4 = 8.0,
rk2 = 50.0, rk3 = 50.0, /
# 2 THR PSI: (2 THR N)-(2 THR CA)-(2 THR C)-(3 LYS N) 78.0 218.0
&rst iat = 19, 21, 31, 33,
r1 = 77.0, r2 = 78.0, r3 = 218.0, r4 = 219.0,
/
# 3 LYS PHI: (2 THR C)-(3 LYS N)-(3 LYS CA)-(3 LYS C) -191.0 -51.0
&rst iat = 31, 33, 35, 53,
r1 = -192.0, r2 = -191.0, r3 = -51.0, r4 = -50.0,
/
# 3 LYS PSI: (3 LYS N)-(3 LYS CA)-(3 LYS C)-(4 LYS N) 86.0 170.0
&rst iat = 33, 35, 53, 55,
r1 = 85.0, r2 = 86.0, r3 = 170.0, r4 = 171.0,
/
# 4 LYS PHI: (3 LYS C)-(4 LYS N)-(4 LYS CA)-(4 LYS C) -140.0 0.0
&rst iat = 53, 55, 57, 75,
r1 = -141.0, r2 = -140.0, r3 = 0.0, r4 = 1.0,
/
# 4 LYS PSI: (4 LYS N)-(4 LYS CA)-(4 LYS C)-(5 ALA N) 76.0 216.0
&rst iat = 55, 57, 75, 77,
r1 = 75.0, r2 = 76.0, r3 = 216.0, r4 = 217.0,
/
# 5 ALA PHI: (4 LYS C)-(5 ALA N)-(5 ALA CA)-(5 ALA C) -198.0 -58.0
&rst iat = 75, 77, 79, 85,
r1 = -199.0, r2 = -198.0, r3 = -58.0, r4 = -57.0,
/
# 5 ALA PSI: (5 ALA N)-(5 ALA CA)-(5 ALA C)-(6 SER N) 71.0 211.0
&rst iat = 77, 79, 85, 87,
r1 = 70.0, r2 = 71.0, r3 = 211.0, r4 = 212.0,
/
# 6 SER PHI: (5 ALA C)-(6 SER N)-(6 SER CA)-(6 SER C) -125.0 -53.0
&rst iat = 85, 87, 89, 96,
r1 = -126.0, r2 = -125.0, r3 = -53.0, r4 = -52.0,
/
# 6 SER PSI: (6 SER N)-(6 SER CA)-(6 SER C)-(7 HIE N) 144.0 184.0
&rst iat = 87, 89, 96, 98,
r1 = 143.0, r2 = 144.0, r3 = 184.0, r4 = 185.0,
/
# 7 HIS PHI: (6 SER C)-(7 HIE N)-(7 HIE CA)-(7 HIE C) -78.0 -38.0
&rst iat = 96, 98, 100, 113,
r1 = -79.0, r2 = -78.0, r3 = -38.0, r4 = -37.0,
/
# 7 HIS PSI: (7 HIE N)-(7 HIE CA)-(7 HIE C)-(8 LYS N) -60.0 -20.0
&rst iat = 98, 100, 113, 115,
r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
/
# 8 LYS PHI: (7 HIE C)-(8 LYS N)-(8 LYS CA)-(8 LYS C) -85.0 -45.0
&rst iat = 113, 115, 117, 135,
r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
/
# 8 LYS PSI: (8 LYS N)-(8 LYS CA)-(8 LYS C)-(9 ASP N) -62.0 -22.0
&rst iat = 115, 117, 135, 137,
r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0,
/
# 9 ASP PHI: (8 LYS C)-(9 ASP N)-(9 ASP CA)-(9 ASP C) -82.0 -42.0
&rst iat = 135, 137, 139, 147,
r1 = -83.0, r2 = -82.0, r3 = -42.0, r4 = -41.0,
/
# 9 ASP PSI: (9 ASP N)-(9 ASP CA)-(9 ASP C)-(10 ALA N) -52.0 -12.0
&rst iat = 137, 139, 147, 149,
r1 = -53.0, r2 = -52.0, r3 = -12.0, r4 = -11.0,
/
# 10 ALA PHI: (9 ASP C)-(10 ALA N)-(10 ALA CA)-(10 ALA C) -114.0 -62.0
&rst iat = 147, 149, 151, 157,
r1 = -115.0, r2 = -114.0, r3 = -62.0, r4 = -61.0,
/
# 10 ALA PSI: (10 ALA N)-(10 ALA CA)-(10 ALA C)-(11 GLY N) -28.0 20.0
&rst iat = 149, 151, 157, 159,
r1 = -29.0, r2 = -28.0, r3 = 20.0, r4 = 21.0,
/
# 12 TYR PHI: (11 GLY C)-(12 TYR N)-(12 TYR CA)-(12 TYR C) -100.0 -56.0
&rst iat = 164, 166, 168, 185,
r1 = -101.0, r2 = -100.0, r3 = -56.0, r4 = -55.0,
/
# 12 TYR PSI: (12 TYR N)-(12 TYR CA)-(12 TYR C)-(13 GLN N) 111.0 155.0
&rst iat = 166, 168, 185, 187,
r1 = 110.0, r2 = 111.0, r3 = 155.0, r4 = 156.0,
/
# 13 GLN PHI: (12 TYR C)-(13 GLN N)-(13 GLN CA)-(13 GLN C) -162.0 -78.0
&rst iat = 185, 187, 189, 202,
r1 = -163.0, r2 = -162.0, r3 = -78.0, r4 = -77.0,
/
# 13 GLN PSI: (13 GLN N)-(13 GLN CA)-(13 GLN C)-(14 GLU N) 145.0 197.0
&rst iat = 187, 189, 202, 204,
r1 = 144.0, r2 = 145.0, r3 = 197.0, r4 = 198.0,
/
# 15 SER PHI: (14 GLU C)-(15 SER N)-(15 SER CA)-(15 SER C) -160.0 -80.0
&rst iat = 217, 219, 221, 228,
r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
/
# 17 ASN PHI: (16 PRO C)-(17 ASN N)-(17 ASN CA)-(17 ASN C) -163.0 -51.0
&rst iat = 242, 244, 246, 256,
r1 = -164.0, r2 = -163.0, r3 = -51.0, r4 = -50.0,
/
# 17 ASN PSI: (17 ASN N)-(17 ASN CA)-(17 ASN C)-(18 GLY N) 65.0 157.0
&rst iat = 244, 246, 256, 258,
r1 = 64.0, r2 = 65.0, r3 = 157.0, r4 = 158.0,
/
# 20 LYS PHI: (19 ALA C)-(20 LYS N)-(20 LYS CA)-(20 LYS C) -135.0 -23.0
&rst iat = 273, 275, 277, 295,
r1 = -136.0, r2 = -135.0, r3 = -23.0, r4 = -22.0,
/
# 20 LYS PSI: (20 LYS N)-(20 LYS CA)-(20 LYS C)-(21 ARG N) 61.0 193.0
&rst iat = 275, 277, 295, 297,
r1 = 60.0, r2 = 61.0, r3 = 193.0, r4 = 194.0,
/
# 21 ARG PHI: (20 LYS C)-(21 ARG N)-(21 ARG CA)-(21 ARG C) -152.0 -88.0
&rst iat = 295, 297, 299, 319,
r1 = -153.0, r2 = -152.0, r3 = -88.0, r4 = -87.0,
/
# 21 ARG PSI: (21 ARG N)-(21 ARG CA)-(21 ARG C)-(22 CYS N) 132.0 176.0
&rst iat = 297, 299, 319, 321,
r1 = 131.0, r2 = 132.0, r3 = 176.0, r4 = 177.0,
/
# 22 CY2 PHI: (21 ARG C)-(22 CY2 N)-(22 CY2 CA)-(22 CY2 C) -110.0 -90.0
&rst iat = 319, 321, 323, 329,
r1 = -111.0, r2 = -110.0, r3 = -90.0, r4 = -89.0,
/
# 23 GLY PHI: (22 CYS C)-(23 GLY N)-(23 GLY CA)-(23 GLY C) 46.0 122.0
&rst iat = 329, 331, 333, 336,
r1 = 45.0, r2 = 46.0, r3 = 122.0, r4 = 123.0,
/
# 33 SER PHI: (32 SER C)-(33 SER N)-(33 SER CA)-(33 SER C) -174.0 -96.0
&rst iat = 484, 486, 488, 495,
r1 = -175.0, r2 = -174.0, r3 = -96.0, r4 = -95.0,
/
# 33 SER PSI: (33 SER N)-(33 SER CA)-(33 SER C)-(34 CY4 N) 92.0 164.0
&rst iat = 486, 488, 495, 497,
r1 = 91.0, r2 = 92.0, r3 = 164.0, r4 = 165.0,
/
# 37 VAL PHI: (36 THR C)-(37 VAL N)-(37 VAL CA)-(37 VAL C) -179.0 -99.0
&rst iat = 538, 540, 542, 554,
r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
/
# 37 VAL PSI: (37 VAL N)-(37 VAL CA)-(37 VAL C)-(38 GLU N) 120.0 160.0
&rst iat = 540, 542, 554, 556,
r1 = 119.0, r2 = 120.0, r3 = 160.0, r4 = 161.0,
/
# 38 GLU PHI: (37 VAL C)-(38 GLU N)-(38 GLU CA)-(38 GLU C) -163.0 -47.0
&rst iat = 554, 556, 558, 569,
r1 = -164.0, r2 = -163.0, r3 = -47.0, r4 = -46.0,
/
# 38 GLU PSI: (38 GLU N)-(38 GLU CA)-(38 GLU C)-(39 SER N) 118.0 178.0
&rst iat = 556, 558, 569, 571,
r1 = 117.0, r2 = 118.0, r3 = 178.0, r4 = 179.0,
/
# 39 SER PHI: (38 GLU C)-(39 SER N)-(39 SER CA)-(39 SER C) -144.0 -36.0
&rst iat = 569, 571, 573, 580,
r1 = -145.0, r2 = -144.0, r3 = -36.0, r4 = -35.0,
/
# 39 SER PSI: (39 SER N)-(39 SER CA)-(39 SER C)-(40 PRO N) 50.0 190.0
&rst iat = 571, 573, 580, 582,
r1 = 49.0, r2 = 50.0, r3 = 190.0, r4 = 191.0,
/
# 41 ILE PHI: (40 PRO C)-(41 ILE N)-(41 ILE CA)-(41 ILE C) -159.0 -59.0
&rst iat = 594, 596, 598, 613,
r1 = -160.0, r2 = -159.0, r3 = -59.0, r4 = -58.0,
/
# 41 ILE PSI: (41 ILE N)-(41 ILE CA)-(41 ILE C)-(42 SER N) 97.0 189.0
&rst iat = 596, 598, 613, 615,
r1 = 96.0, r2 = 97.0, r3 = 189.0, r4 = 190.0,
/
# 42 SER PHI: (41 ILE C)-(42 SER N)-(42 SER CA)-(42 SER C) -125.0 -65.0
&rst iat = 613, 615, 617, 624,
r1 = -126.0, r2 = -125.0, r3 = -65.0, r4 = -64.0,
/
# 42 SER PSI: (42 SER N)-(42 SER CA)-(42 SER C)-(43 GLU N) 137.0 193.0
&rst iat = 615, 617, 624, 626,
r1 = 136.0, r2 = 137.0, r3 = 193.0, r4 = 194.0,
/
# 43 GLU PHI: (42 SER C)-(43 GLU N)-(43 GLU CA)-(43 GLU C) -91.0 -51.0
&rst iat = 624, 626, 628, 639,
r1 = -92.0, r2 = -91.0, r3 = -51.0, r4 = -50.0,
/
# 43 GLU PSI: (43 GLU N)-(43 GLU CA)-(43 GLU C)-(44 ASN N) -40.0 0.0
&rst iat = 626, 628, 639, 641,
r1 = -41.0, r2 = -40.0, r3 = 0.0, r4 = 1.0,
/
# 45 GLY PHI: (44 ASN C)-(45 GLY N)-(45 GLY CA)-(45 GLY C) 36.0 96.0
&rst iat = 653, 655, 657, 660,
r1 = 35.0, r2 = 36.0, r3 = 96.0, r4 = 97.0,
/
# 45 GLY PSI: (45 GLY N)-(45 GLY CA)-(45 GLY C)-(46 TRP N) -14.0 62.0
&rst iat = 655, 657, 660, 662,
r1 = -15.0, r2 = -14.0, r3 = 62.0, r4 = 63.0,
/
# 51 ALA PHI: (50 TYR C)-(51 ALA N)-(51 ALA CA)-(51 ALA C) -142.0 -46.0
&rst iat = 766, 768, 770, 776,
r1 = -143.0, r2 = -142.0, r3 = -46.0, r4 = -45.0,
/
# 51 ALA PSI: (51 ALA N)-(51 ALA CA)-(51 ALA C)-(52 GLY N) 108.0 168.0
&rst iat = 768, 770, 776, 778,
r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0,
/
# 53 LYS PHI: (52 GLY C)-(53 LYS N)-(53 LYS CA)-(53 LYS C) -104.0 -56.0
&rst iat = 783, 785, 787, 805,
r1 = -105.0, r2 = -104.0, r3 = -56.0, r4 = -55.0,
/
# 53 LYS PSI: (53 LYS N)-(53 LYS CA)-(53 LYS C)-(54 ALA N) 95.0 163.0
&rst iat = 785, 787, 805, 807,
r1 = 94.0, r2 = 95.0, r3 = 163.0, r4 = 164.0,
/
# 47 CYF CHI2: (47 CYF CA)-(47 CYF CB)-(47 CYF SGF)-(47 CYF FE4) -94.0 -54.0
&rst iat = 688, 690, 693, 694,
r1 = -95.0, r2 = -94.0, r3 = -54.0, r4 = -53.0,
/
# 22 CY2 CHI2: (22 CY2 CA)-(22 CY2 CB)-(22 CY2 SG2)-(47 CYF FE4) -139.7 -59.7
&rst iat = 323, 325, 328, 696,
r1 = -140.7, r2 = -139.7, r3 = -59.7, r4 = -58.7,
/
# 25 CY3 CHI2: (25 CY3 CA)-(25 CY3 CB)-(25 CY3 SG3)-(47 CYF FE4) -195.5 -160.5
&rst iat = 354, 356, 359, 698,
r1 = -196.5, r2 = -195.5, r3 = -160.5, r4 = -159.5,
/
# 34 CY4 CHI2: (34 CY4 CA)-(34 CY4 CB)-(34 CY4 SG4)-(47 CYF FE4) 113.4 133.4
&rst iat = 499, 501, 504, 700,
r1 = 112.4, r2 = 113.4, r3 = 133.4, r4 = 135.4,
/
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