NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
7368 | 1kbh | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# 1 GLU- HA 2 GLY QA 5.0 &rst ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, igr2= 21, 22, &end # # 2 GLY HN 3 GLN HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 19, 26, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 GLY HN 4 SER QB 5.0 &rst ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 47, 48, &end # # 2 GLY HN 1 GLU- QG 5.0 &rst ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 11, 12, &end # # 4 SER HN 3 GLN HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 43, 26, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 4 SER HN 5 ASP- QB 5.0 &rst ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 58, 59, &end # # 4 SER HN 3 GLN QG 5.0 &rst ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 33, 34, &end # # 5 ASP- HN 6 GLU- HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 54, 66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 5 ASP- HN 9 LEU QD1 5.0 &rst ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 124, 125, 126, &end # # 5 ASP- HN 9 LEU QD1 5.0 (#ONE OF THESE SHOULD BE MEDIUM) &rst ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 124, 125, 126, &end # # 5 ASP- QB 8 ALA QB 5.0 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 58, 59, igr2= 109, 110, 111, &end # # 6 GLU- HN 5 ASP- HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 66, 54, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 GLU- HN 7 ARG+ HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 66, 81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 GLU- HN 4 SER HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 66, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 6 GLU- HN 3 GLN HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 66, 28, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 6 GLU- HN 6 GLU- QG 4.0 (#released0617penalty) &rst ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 73, 74, &end # # 7 ARG+ HN 6 GLU- HN 3.0 &rst ixpk= 0, nxpk= 0, iat= 81, 66, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 7 ARG+ HN 8 ALA HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 81, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 ARG+ HN 5 ASP- HA 4.5 &rst ixpk= 0, nxpk= 0, iat= 81, 56, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 ARG+ HN 4 SER HA 4.5 &rst ixpk= 0, nxpk= 0, iat= 81, 45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 ARG+ HN 7 ARG+ QG 4.0 &rst ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 88, 89, &end # # 7 ARG+ HN 6 GLU- QG 5.0 &rst ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 73, 74, &end # # 7 ARG+ HA 10 LEU HB3 4.0 &rst ixpk= 0, nxpk= 0, iat= 83, 139, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 7 ARG+ HA 10 LEU HB2 4.0 &rst ixpk= 0, nxpk= 0, iat= 83, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 7 ARG+ HA 10 LEU HG 5.0 &rst ixpk= 0, nxpk= 0, iat= 83, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 7 ARG+ HA 10 LEU QQD 4.5 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 143, 144, 145, 147, 148, 149, &end # # 7 ARG+ HA 10 LEU HN 4.5 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 83, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 8 ALA HN 7 ARG+ HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 105, 81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 ALA HN 7 ARG+ QB 5.0 &rst ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 85, 86, &end # # 8 ALA HN 7 ARG+ QG 5.0 &rst ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 88, 89, &end # # 8 ALA HN 5 ASP- HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 105, 56, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 8 ALA HA 11 ASP- HB3 4.0 &rst ixpk= 0, nxpk= 0, iat= 107, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 8 ALA HA 11 ASP- HB2 4.0 &rst ixpk= 0, nxpk= 0, iat= 107, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 9 LEU HN 10 LEU HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 115, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 9 LEU HN 6 GLU- HA 3.5 &rst ixpk= 0, nxpk= 0, iat= 115, 68, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 9 LEU HN 6 GLU- QB 5.0 &rst ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 70, 71, &end # # 9 LEU HN 9 LEU QD1 4.0 &rst ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 124, 125, 126, &end # # 9 LEU HN 9 LEU QD2 5.0 &rst ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 128, 129, 130, &end # # 9 LEU HA 12 GLN QB 4.2 (#from4.0to4.2on0920) &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 169, 170, &end # # 9 LEU HA 12 GLN QG 5.0 &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 172, 173, &end # # 9 LEU HB3 6 GLU- HA 4.0 (#0619hmqcnoe) &rst ixpk= 0, nxpk= 0, iat= 120, 68, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 9 LEU HA 12 GLN QE 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 177, 178, &end # # 10 LEU HN 7 ARG+ HA 3.5 &rst ixpk= 0, nxpk= 0, iat= 134, 83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 10 LEU HN 10 LEU HG 4.5 &rst ixpk= 0, nxpk= 0, iat= 134, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 LEU HN 10 LEU QD1 5.0 (#RELEASED - NO STEREO) &rst ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, &end # # 10 LEU HN 10 LEU QD2 5.0 (#RELEASED - NO STEREO ) &rst ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 147, 148, 149, &end # # 11 ASP- HN 10 LEU HN 2.7 &rst ixpk= 0, nxpk= 0, iat= 153, 134, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end # # 11 ASP- HN 12 GLN HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 ASP- HN 8 ALA HA 3.5 &rst ixpk= 0, nxpk= 0, iat= 153, 107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 ASP- HN 12 GLN QG 5.0 &rst ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 172, 173, &end # # 11 ASP- HN 10 LEU HG 3.5 &rst ixpk= 0, nxpk= 0, iat= 153, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 ASP- HN 10 LEU QD1 5.0 (#RELEASED - NO STEREO) &rst ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, &end # # 11 ASP- HN 10 LEU QD2 5.0 (#RELEASED - NO STEREO) &rst ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 147, 148, 149, &end # # 11 ASP- HA 7 ARG+ QD 5.5 (#spindifreleasedfrom5.0to5.5on0911 ) &rst ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 91, 92, &end # # 11 ASP- HA 14 HIS HN 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 155, 201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 11 ASP- HA 15 THR HN 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 155, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 11 ASP- HB3 8 ALA QB 6.5 (#spindiff0515) &rst ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2= 109, 110, 111, &end # # 11 ASP- HB3 8 ALA HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 158, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 11 ASP- HB2 8 ALA QB 5.0 &rst ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 109, 110, 111, &end # # 11 ASP- HB2 8 ALA HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 157, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 11 ASP- HB3 7 ARG+ QD 5.5 (#0822cnnoeoutto5.5from5.0on0911spindif?) &rst ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 91, 92, &end # # 11 ASP- HB2 7 ARG+ QD 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 91, 92, &end # # 11 ASP- HB3 12 GLN QB 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 169, 170, &end # # 11 ASP- HB2 12 GLN QB 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 169, 170, &end # # 12 GLN HN 13 LEU HN 3.0 &rst ixpk= 0, nxpk= 0, iat= 165, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 12 GLN HN 11 ASP- HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 165, 153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 GLN HN 8 ALA HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 165, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 12 GLN HN 9 LEU HA 4.0 &rst ixpk= 0, nxpk= 0, iat= 165, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 12 GLN HN 12 GLN HG2 3.5 &rst ixpk= 0, nxpk= 0, iat= 165, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 GLN HN 12 GLN HG3 3.5 &rst ixpk= 0, nxpk= 0, iat= 165, 173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 GLN HA 15 THR HB 5.0 &rst ixpk= 0, nxpk= 0, iat= 167, 222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 12 GLN HB3 9 LEU QQD 5.5 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 124, 125, 126, 128, 129, 130, &end # # 12 GLN HB3 8 ALA QB 5.5 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 109, 110, 111, &end # # 13 LEU HN 12 GLN HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 182, 165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 LEU HN 12 GLN HG3 3.5 &rst ixpk= 0, nxpk= 0, iat= 182, 173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 LEU HN 12 GLN HG2 5.0 &rst ixpk= 0, nxpk= 0, iat= 182, 172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 13 LEU HN 10 LEU HA 3.5 &rst ixpk= 0, nxpk= 0, iat= 182, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 LEU HN 9 LEU HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 182, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 13 LEU HA 16 LEU HB3 5.0 &rst ixpk= 0, nxpk= 0, iat= 184, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 13 LEU HA 16 LEU HB2 5.0 &rst ixpk= 0, nxpk= 0, iat= 184, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 13 LEU HA 17 LEU QD2 5.0 (#poss to V229qg2) &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 264, 265, 266, &end # # 14 HIS HN 14 HIS HD2 5.0 &rst ixpk= 0, nxpk= 0, iat= 201, 214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 14 HIS HN 11 ASP- HA 3.5 &rst ixpk= 0, nxpk= 0, iat= 201, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 HIS HN 12 GLN HA 4.5 &rst ixpk= 0, nxpk= 0, iat= 201, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 THR HN 16 LEU HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 218, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 THR HN 12 GLN HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 218, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 15 THR HN 16 LEU HB3 5.0 &rst ixpk= 0, nxpk= 0, iat= 218, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 15 THR HN 15 THR QG2 5.0 (#released0515) &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 224, 225, 226, &end # # 15 THR HB 12 GLN HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 222, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 15 THR HA 19 ASN QD2 6.0 (#0822cnnoe-releasedfrom5to6spndif?0906) &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 290, 291, &end # # 15 THR HA 19 ASN HN 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 220, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 16 LEU HN 15 THR HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 232, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 16 LEU HN 17 LEU HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 232, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 16 LEU HN 13 LEU HA 3.5 &rst ixpk= 0, nxpk= 0, iat= 232, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 16 LEU HN 15 THR QG2 5.0 &rst ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 224, 225, 226, &end # # 16 LEU HA 15 THR QG2 5.0 &rst ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 224, 225, 226, &end # # 16 LEU QB 13 LEU HA 4.0 (#0617hmqcnewlyassignedbeta) &rst ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 236, 237, &end # # 17 LEU HN 16 LEU HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 251, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 LEU HN 18 SER HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 251, 270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 LEU HN 14 HIS HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 251, 203, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 17 LEU HN 16 LEU HG 3.5 &rst ixpk= 0, nxpk= 0, iat= 251, 239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 LEU HN 18 SER QB 5.0 &rst ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 274, 275, &end # # 17 LEU HN 17 LEU QD1 5.0 &rst ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 260, 261, 262, &end # # 17 LEU HN 17 LEU QD2 5.0 &rst ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 264, 265, 266, &end # # 17 LEU QD1 90 PHE QD 5.0 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 260, 261, 262, igr2=1381,1389, &end # # 17 LEU QD1 90 PHE QE 4.5 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 260, 261, 262, igr2=1383,1387, &end # # 17 LEU QD2 90 PHE QD 5.0 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 264, 265, 266, igr2=1381,1389, &end # # 17 LEU QD2 90 PHE QE 4.5 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 264, 265, 266, igr2=1383,1387, &end # # 17 LEU QQD 80 LEU QQD 5.0LOWERLIMIT!!!!!! &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 25.00, r4= 25.50, igr1= 260, 261, 262, 264, 265, 266, igr2=1229,1230,1231,1233,1234,1235, &end # # 17 LEU HA 19 ASN HN 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 253, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 18 SER HN 17 LEU HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 270, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 SER HN 19 ASN HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 270, 281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 SER HN 19 ASN HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 270, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 18 SER HN 16 THR HA 4.0 (#releasedfrom3.5/0612) &rst ixpk= 0, nxpk= 0, iat= 270, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 19 ASN HN 18 SER HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 281, 270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 19 ASN HN 20 THR HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 281, 295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 19 ASN HN 16 LEU HA 5.0 (#released,0622) &rst ixpk= 0, nxpk= 0, iat= 281, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 19 ASN QD 21 ASP- QB 5.0 (#added0622) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 290, 291, igr2= 313, 314, &end # # 19 ASN HB3 15 THR HB 5.5 (#0822cnnoe-released5to5.5spndif?0907) &rst ixpk= 0, nxpk= 0, iat= 286, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 19 ASN HB3 15 THR QG2 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 224, 225, 226, &end # # 19 ASN HB3 16 LEU HA 4.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 286, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 19 ASN HB3 16 LEU QQD 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr2= 241, 242, 243, 245, 246, 247, &end # # 19 ASN HB2 15 THR HB 6.5 (#0822cnnoe-released5to6.5spndif?0911) &rst ixpk= 0, nxpk= 0, iat= 285, 222, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 19 ASN HB2 15 THR QG2 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 224, 225, 226, &end # # 19 ASN HB2 16 LEU HA 4.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 285, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 19 ASN HB2 16 LEU QQD 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr2= 241, 242, 243, 245, 246, 247, &end # # 20 THR HN 21 ASP- HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 295, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 20 THR HN 19 ASN HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 295, 281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 20 THR HN 20 THR QG2 3.5 &rst ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 301, 302, 303, &end # # 21 ASP- HN 22 ALA HN 4.5 (#wkerthanrecipbecauserecipcontainsovlpfromTHR48!!) &rst ixpk= 0, nxpk= 0, iat= 309, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 21 ASP- HN 20 THR HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 309, 295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 ALA HN 23 THR HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 ALA HA 25 LEU HB2 4.5 (#0607hmqcnoe) &rst ixpk= 0, nxpk= 0, iat= 323, 356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 ALA HA 25 LEU HB3 4.5 (#0607hmqcnoe) &rst ixpk= 0, nxpk= 0, iat= 323, 357, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 ALA HA 25 LEU QQD 5.0 (#0620hmqcnoe) &rst ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr2= 361, 362, 363, 365, 366, 367, &end # # 22 ALA QB 23 THR QG2 5.5 (#0703hmqcnoe) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 325, 326, 327, igr2= 337, 338, 339, &end # # 22 ALA QB 25 LEU QQD 5.0 (#0703hmqcnoe) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 325, 326, 327, igr2= 361, 362, 363, 365, 366, 367, &end # # 23 THR HN 24 GLY HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 331, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 23 THR HN 22 ALA HN 5.0 &rst ixpk= 0, nxpk= 0, iat= 331, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 23 THR HN 25 LEU QD1 6.0 (#RELEASED - NO STEREO) &rst ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 361, 362, 363, &end # # 23 THR HA 26 GLU- HB3 4.5 (#0607hmqcnoe-releasedto3.8on0924to4.0on0926to4.5on1002) &rst ixpk= 0, nxpk= 0, iat= 333, 376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 23 THR HA 26 GLU- QG 5.4 (#releasedto5.2on0924to5.4on0926) &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2= 378, 379, &end # # 24 GLY HN 25 LEU HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 345, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 GLY HN 23 THR QG2 3.5 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 337, 338, 339, &end # # 24 GLY QA 23 THR QG2 5.0 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 347, 348, igr2= 337, 338, 339, &end # # 25 LEU HN 24 GLY HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 352, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 LEU HN 26 GLU- HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 352, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 LEU HN 22 ALA HA 5.0 (#weakincnnoe3.5to5.0on1010) &rst ixpk= 0, nxpk= 0, iat= 352, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 25 LEU HN 23 THR HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 352, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 25 LEU HN 25 LEU HG 5.0 &rst ixpk= 0, nxpk= 0, iat= 352, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 25 LEU QQD 90 PHE QE 4.0 (#hmqcnoe0517) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 361, 362, 363, 365, 366, 367, igr2=1383,1387, &end # # 25 LEU QQD 90 PHE QD 5.0 (#hmqcnoevwkspinddif?0517) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 361, 362, 363, 365, 366, 367, igr2=1381,1389, &end # # 25 LEU QQD 80 LEU QQD 4.5 (#hmqcnoeABSOLUTELEY!!0615) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 361, 362, 363, 365, 366, 367, igr2=1229,1230,1231,1233,1234,1235, &end # # 26 GLU- HN 23 THR HA 4.5 (#released3.5to4.0on0619releasedfrom4.0to4.5on0925) &rst ixpk= 0, nxpk= 0, iat= 371, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 GLU- HA 29 ASP- QB 4.0 (#releasedon0622) &rst ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 424, 425, &end # # 26 GLU- QG 27 GLU- HB3 5.0 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 378, 379, &end # # 26 GLU- QG 27 GLU- HB2 5.0 &rst ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 378, 379, &end # # 27 GLU- HN 28 ILE HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 386, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 27 GLU- HN 24 GLY QA 3.5 &rst ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 347, 348, &end # # 27 GLU- HN 25 LEU HA 4.5 &rst ixpk= 0, nxpk= 0, iat= 386, 354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 GLU- HN 28 ILE QG1 5.0 &rst ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 411, 412, &end # # 27 GLU- HN 30 ARG+ HD3 6.0 (#0822cnnoe-changedto5.5on0910spindiff-outto6.0on0924) &rst ixpk= 0, nxpk= 0, iat= 386, 443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 ILE HN 29 ASP- HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 401, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ILE HN 27 GLU- HN 5.0 &rst ixpk= 0, nxpk= 0, iat= 401, 386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 28 ILE HN 28 ILE HG13 3.5 &rst ixpk= 0, nxpk= 0, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ILE HN 28 ILE HG12 3.5 &rst ixpk= 0, nxpk= 0, iat= 401, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ILE HN 25 LEU HA 3.5 &rst ixpk= 0, nxpk= 0, iat= 401, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ILE HN 26 GLU- HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 401, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 28 ILE HA 31 ALA QB 4.0 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 460, 461, 462, &end # # 28 ILE HB 90 PHE QE 6.5 (#FENOEpossspindiff) &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr2=1383,1387, &end # # 28 ILE HB 25 LEU HA 3.5 &rst ixpk= 0, nxpk= 0, iat= 405, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ILE QG2 80 LEU QD1 4.5 (#0602hmqcnoebeefedupfrom5to4.5on0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 407, 408, 409, igr2=1229,1230,1231, &end # # 28 ILE QG2 80 LEU QD2 4.5 (#0602hmqcnoeasaboveline) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 407, 408, 409, igr2=1233,1234,1235, &end # # 28 ILE QG2 90 PHE QD 5.5 (#1002cnnoe) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 407, 408, 409, igr2=1381,1389, &end # # 28 ILE QG2 90 PHE HZ 4.0 (#0602hmqcnoe#beefedupto4.0on0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 407, 408, 409, &end # # 28 ILE QD1 90 PHE HZ 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 414, 415, 416, &end # # 28 ILE HA 90 PHE HZ 6.0 (#ambiguousheorhz0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 403,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 ILE HA 32 LEU HN 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 403, 466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 29 ASP- HN 30 ARG+ HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 420, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 ASP- HN 28 ILE HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 420, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 ASP- HN 25 LEU HA 4.2 &rst ixpk= 0, nxpk= 0, iat= 420, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 29 ASP- HN 26 GLU- HA 3.5 (#ifat4.20->quite strong!releasedto3.5from3.2) &rst ixpk= 0, nxpk= 0, iat= 420, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 ASP- HN 30 ARG+ HG2 5.0 &rst ixpk= 0, nxpk= 0, iat= 420, 439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 29 ASP- HN 30 ARG+ HG3 5.5 (#releasedfrom5.0to5.5on0924) &rst ixpk= 0, nxpk= 0, iat= 420, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 ASP- HN 28 ILE QG2 5.0 &rst ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 407, 408, 409, &end # # 29 ASP- HN 28 ILE QD1 5.0 &rst ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 414, 415, 416, &end # # 29 ASP- HN 28 ILE QG1 5.0 &rst ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 411, 412, &end # # 29 ASP- HB2 98 TYR QE 5.0 (#hmqcnoe0602) &rst ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1531,1536, &end # # 29 ASP- HB2 34 ILE QD1 5.0 (#cnnoe0822) &rst ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 505, 506, 507, &end # # 29 ASP- HA 32 LEU QQD 4.5 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 475, 476, 477, 479, 480, 481, &end # # 29 ASP- HA 34 ILE HB 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 422, 496, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 29 ASP- HA 34 ILE QD1 4.5 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 505, 506, 507, &end # # 29 ASP- HA 34 ILE QG2 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 498, 499, 500, &end # # 29 ASP- HA 32 LEU HN 5.0 (#0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 422, 466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 30 ARG+ HN 29 ASP- HN 3.5 &rst ixpk= 0, nxpk= 0, iat= 432, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 ARG+ HN 27 GLU- HA 3.5 &rst ixpk= 0, nxpk= 0, iat= 432, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 ARG+ HN 30 ARG+ QD 5.0 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 442, 443, &end # # 30 ARG+ HN 30 ARG+ QG 3.0 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2= 439, 440, &end # # 30 ARG+ QB 27 GLU- HA 4.0 (#tightened0623) &rst ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 436, 437, &end # # 31 ALA HN 28 ILE HA 3.5 (#beefedup0822cnnoe) &rst ixpk= 0, nxpk= 0, iat= 456, 403, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 31 ALA HN 29 ASP- HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 456, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 31 ALA HN 30 ARG+ QG 3.5 &rst ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 439, 440, &end # # 32 LEU HN 33 GLY HN 2.7 &rst ixpk= 0, nxpk= 0, iat= 466, 485, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end # # 32 LEU HN 30 ARG+ HA 5.0 &rst ixpk= 0, nxpk= 0, iat= 466, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 32 LEU HN 32 LEU HG 3.2 &rst ixpk= 0, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 32 LEU QD2 90 PHE QD 6.0 (#hmqcnoe 0508spindif ) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 479, 480, 481, igr2=1381,1389, &end # # 32 LEU QD1 90 PHE QD 6.0 (#hmqcnoe 0508spindif) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 475, 476, 477, igr2=1381,1389, &end # # 32 LEU QD2 90 PHE QE 4.5 (#hmqcnoe 0508) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 479, 480, 481, igr2=1383,1387, &end # # 32 LEU QD1 90 PHE QE 4.5 (#hmqcnoe 0508) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 475, 476, 477, igr2=1383,1387, &end # # 32 LEU QD1 80 LEU QD1 4.5 (#HMQCNOE0517) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 475, 476, 477, igr2=1229,1230,1231, &end # # 32 LEU QD1 80 LEU QD2 4.5 (#cnnoe0822cnnoe) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 475, 476, 477, igr2=1233,1234,1235, &end # # 32 LEU QD2 80 LEU QD1 4.5 (#hmqcnoe0530) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 479, 480, 481, igr2=1229,1230,1231, &end # # 32 LEU QD2 80 LEU QD2 5.0 (#cnnoe0822-releasedto5.0from4.5on0920) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 479, 480, 481, igr2=1233,1234,1235, &end # # 33 GLY HN 31 ALA HA 4.0 &rst ixpk= 508, nxpk= 0, iat= 485, 458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 33 GLY HN 32 LEU HG 5.0 (#releasedby0.5Angon0611another0.5on0615) &rst ixpk= 508, nxpk= 0, iat= 485, 473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 33 GLY HN 32 LEU HB2 5.0 &rst ixpk= 508, nxpk= 0, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 33 GLY HN 32 LEU HB3 5.0 &rst ixpk= 508, nxpk= 0, iat= 485, 471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 33 GLY HN 32 LEU QQD 4.5 &rst ixpk= 508, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 475, 476, 477, 479, 480, 481, &end # # 34 ILE HN 33 GLY HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 492, 485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 ILE HN 32 LEU HA 4.5 &rst ixpk= 508, nxpk= 0, iat= 492, 468, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 ILE HN 35 PRO HD3 3.5 &rst ixpk= 508, nxpk= 0, iat= 492, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 ILE HN 35 PRO HD2 3.5 &rst ixpk= 508, nxpk= 0, iat= 492, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 ILE HN 34 ILE QG2 4.5 &rst ixpk= 508, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 498, 499, 500, &end # # 34 ILE QD1 90 PHE QD 6.5 (#possspindif) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26, igr1= 505, 506, 507, igr2=1381,1389, &end # # 34 ILE QD1 90 PHE HZ 5.5 &rst ixpk= 508, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 505, 506, 507, &end # # 34 ILE QG2 98 TYR QD 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 498, 499, 500, igr2=1529,1538, &end # # 34 ILE QG2 98 TYR QE 5.0 (#) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 498, 499, 500, igr2=1531,1536, &end # # 34 ILE HA 35 PRO QD 5.0 &rst ixpk= 508, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 512, 513, &end # # 34 ILE HA 37 LEU HB2 3.5 &rst ixpk= 508, nxpk= 0, iat= 494, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 ILE HA 37 LEU HG 5.0 &rst ixpk= 508, nxpk= 0, iat= 494, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 34 ILE HA 37 LEU HB3 4.0 (#releasedfrom3.5to4.0on0927) &rst ixpk= 508, nxpk= 0, iat= 494, 545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 34 ILE HB 98 TYR QE 6.5 (#FENOEpossspindif) &rst ixpk= 508, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr2=1531,1536, &end # # 34 ILE HA 38 VAL HN 4.5 (#0822cnnoe) &rst ixpk= 508, nxpk= 0, iat= 494, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 35 PRO QD 38 VAL QG2 6.5 (#RELEASED NO STEREO) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26, igr1= 512, 513, igr2= 569, 570, 571, &end # # 35 PRO QD 98 TYR QE 5.5 (#cnnoe0822) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 512, 513, igr2=1531,1536, &end # # 35 PRO QD 34 ILE QG2 4.5 (#0602hmqcnoe) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 512, 513, igr2= 498, 499, 500, &end # # 35 PRO HA 38 VAL HB 3.5 (#0606hmqcnoe) &rst ixpk= 508, nxpk= 0, iat= 521, 563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 35 PRO HA 98 TYR QE 5.0 (#cnnoe0822) &rst ixpk= 508, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1531,1536, &end # # 36 GLU- HN 37 LEU HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 GLU- HN 33 GLY QA 5.0 &rst ixpk= 508, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 487, 488, &end # # 36 GLU- HN 34 ILE HA 5.0 &rst ixpk= 508, nxpk= 0, iat= 525, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 36 GLU- HN 35 PRO QD 5.0 &rst ixpk= 508, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 512, 513, &end # # 36 GLU- HN 37 LEU HG 5.0 &rst ixpk= 508, nxpk= 0, iat= 525, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 37 LEU HN 38 VAL HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 540, 559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 LEU HN 33 GLY QA 5.0 &rst ixpk= 508, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 487, 488, &end # # 37 LEU HN 34 ILE HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 540, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 LEU HN 37 LEU HG 3.5 &rst ixpk= 508, nxpk= 0, iat= 540, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 LEU HN 37 LEU QD1 5.0 &rst ixpk= 508, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 549, 550, 551, &end # # 37 LEU HN 37 LEU QD2 5.0 (#RELEASED - NO STEREO) &rst ixpk= 508, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 553, 554, 555, &end # # 37 LEU HA 40 GLN QG 5.0 (#0822cnnoe) &rst ixpk= 508, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 596, 597, &end # # 38 VAL HN 39 ASN HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 559, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 VAL HN 37 LEU HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 559, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 VAL HN 35 PRO HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 559, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 VAL HN 37 LEU HG 5.0 &rst ixpk= 508, nxpk= 0, iat= 559, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 38 VAL QQG 98 TYR QD 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 565, 566, 567, 569, 570, 571, igr2=1529,1538, &end # # 38 VAL QQG 98 TYR QE 4.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 565, 566, 567, 569, 570, 571, igr2=1531,1536, &end # # 38 VAL HB 35 PRO HA 5.0 &rst ixpk= 508, nxpk= 0, iat= 563, 521, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 38 VAL QQG 34 ILE QG2 4.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 565, 566, 567, 569, 570, 571, igr2= 498, 499, 500, &end # # 39 ASN HN 38 VAL HN 5.0 &rst ixpk= 508, nxpk= 0, iat= 575, 559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 39 ASN HN 36 GLU- HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 575, 527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 40 GLN HN 39 ASN HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 589, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 40 GLN HN 36 GLU- HA 4.5 &rst ixpk= 508, nxpk= 0, iat= 589, 527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 40 GLN HN 38 VAL HA 5.0 &rst ixpk= 508, nxpk= 0, iat= 589, 561, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 40 GLN HN 40 GLN QG 5.0 (#RELEASED - NO STEREO) &rst ixpk= 508, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 596, 597, &end # # 41 GLY HN 40 GLN HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 606, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 41 GLY HN 40 GLN QG 5.5 (#RELEASED - NO STEREO) &rst ixpk= 508, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 596, 597, &end # # 41 GLY HN 37 LEU HA 5.0 &rst ixpk= 508, nxpk= 0, iat= 606, 542, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 42 GLN HN 42 GLN QG 4.0 &rst ixpk= 508, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 620, 621, &end # # 43 ALA HN 44 LEU HN 5.0 (#AMBIGUOUS) &rst ixpk= 508, nxpk= 0, iat= 630, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 44 LEU HN 44 LEU HG 3.5 &rst ixpk= 508, nxpk= 0, iat= 640, 647, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 44 LEU HN 44 LEU QD1 5.0 &rst ixpk= 508, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 649, 650, 651, &end # # 44 LEU HN 44 LEU QD2 5.0 &rst ixpk= 508, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 653, 654, 655, &end # # 12 GLN HE22 13 LEU QB 5.0 &rst ixpk= 508, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 186, 187, &end # # 12 GLN HE22 13 LEU QD1 4.0 &rst ixpk= 508, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 191, 192, 193, &end # # 12 GLN HE22 13 LEU QD2 4.0 &rst ixpk= 508, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 195, 196, 197, &end # # 7 ARG+ HH22 7 ARG+ QB 4.0 &rst ixpk= 508, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 85, 86, &end # # 51 SER HA 52 ILE HA 4.5 &rst ixpk= 508, nxpk= 0, iat= 767, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 52 ILE HA 83 ASN HA 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= 778,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ILE HA 53 SER HA 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= 778, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ILE QD1 6 GLU- QG 5.0 (#fenoe0602) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 789, 790, 791, igr2= 73, 74, &end # # 55 SER HN 56 ALA HN 5.0 &rst ixpk= 508, nxpk= 0, iat= 820, 831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 56 ALA HN 55 SER HN 5.0 &rst ixpk= 508, nxpk= 0, iat= 831, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 56 ALA HN 57 LEU QB 5.0 &rst ixpk= 508, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 845, 846, &end # # 56 ALA HN 57 LEU QD2 6.5 (#RELEASED NO STEREO) &rst ixpk= 508, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2= 854, 855, 856, &end # # 57 LEU HN 58 GLN HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 841, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU HN 54 PRO HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 841, 816, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 LEU QD1 9 LEU HB3 5.0 (#CNOE0520-noalternatives!-uniquepk) &rst ixpk= 508, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 850, 851, 852, &end # # 57 LEU QD2 9 LEU HB3 5.0 (#CNOE0520-noalternatives!-uniquepk) &rst ixpk= 508, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 854, 855, 856, &end # # 57 LEU QD1 9 LEU HB2 5.0 (#Cnoe0521) &rst ixpk= 508, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 850, 851, 852, &end # # 57 LEU QD2 9 LEU HB2 5.0 (#cnoe0521) &rst ixpk= 508, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 854, 855, 856, &end # # 57 LEU QQD 9 LEU QD1 5.0 (#fenoe0521) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 850, 851, 852, 854, 855, 856, igr2= 124, 125, 126, &end # # 57 LEU QQD 9 LEU QD2 5.0 (#fenoe0521) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 850, 851, 852, 854, 855, 856, igr2= 128, 129, 130, &end # # 58 GLN HN 57 LEU HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 860, 841, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 58 GLN HN 55 SER HA 3.5 (#0525cnoetight) &rst ixpk= 508, nxpk= 0, iat= 860, 822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 58 GLN HN 56 ALA QB 6.0 &rst ixpk= 508, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 835, 836, 837, &end # # 59 ASP- HN 60 LEU HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 877, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 ASP- HN 61 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat= 877, 908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 59 ASP- HN 56 ALA HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 877, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 ASP- HB2 56 ALA HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 881, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 ASP- HB3 56 ALA HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 882, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 ASP- HN 58 GLN HG2 5.0 &rst ixpk= 508, nxpk= 0, iat= 877, 867, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 59 ASP- HN 58 GLN HG3 5.0 &rst ixpk= 508, nxpk= 0, iat= 877, 868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 59 ASP- HN 56 ALA QB 5.0 &rst ixpk= 508, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 835, 836, 837, &end # # 59 ASP- HA 79 ILE QD1 5.5 (#CNOE-0508WE'LL SEE!!) &rst ixpk= 508, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1214,1215,1216, &end # # 59 ASP- QB 79 ILE QD1 5.0 (#CNOE-0509(NO FENOE PK)) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 881, 882, igr2=1214,1215,1216, &end # # 60 LEU HN 61 LEU HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 889, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 LEU HN 59 ASP- HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 889, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 LEU HN 56 ALA HA 5.0 &rst ixpk= 508, nxpk= 0, iat= 889, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 60 LEU HN 57 LEU HA 4.5 (#cnoetightnottoostrong4.5on0702) &rst ixpk= 508, nxpk= 0, iat= 889, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 LEU HA 63 THR QG2 5.0 &rst ixpk= 508, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 957, 958, 959, &end # # 60 LEU HB3 80 LEU QQD 7.0 (#CNOE0508spindiff?releasedfrom5.0on0616) &rst ixpk= 508, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1229,1230,1231,1233,1234,1235, &end # # 60 LEU HB3 79 ILE QD1 5.0 (#CNOE0521) &rst ixpk= 508, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1214,1215,1216, &end # # 61 LEU HN 60 LEU HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 908, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU HN 62 ARG+ HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 908, 927, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LEU QQD 9 LEU QB 5.0 (#spindiff??surepeak/sureassignment) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 917, 918, 919, 921, 922, 923, igr2= 119, 120, &end # # 61 LEU QQD 12 GLN QG 5.0 (#FENOE0531) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 917, 918, 919, 921, 922, 923, igr2= 172, 173, &end # # 62 ARG+ HN 61 LEU HN 3.5 &rst ixpk= 508, nxpk= 0, iat= 927, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ARG+ HN 63 THR HN 2.8 &rst ixpk= 508, nxpk= 0, iat= 927, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 62 ARG+ HN 59 ASP- HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 927, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ARG+ HN 62 ARG+ HG3 4.2 &rst ixpk= 508, nxpk= 0, iat= 927, 935, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 62 ARG+ HN 62 ARG+ HG2 4.2 &rst ixpk= 508, nxpk= 0, iat= 927, 934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 62 ARG+ HN 61 LEU QD1 5.0 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 917, 918, 919, &end # # 62 ARG+ HN 61 LEU QD2 5.0 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 921, 922, 923, &end # # 63 THR HN 64 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat= 951, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 63 THR HN 62 ARG+ HG2 5.0 &rst ixpk= 508, nxpk= 0, iat= 951, 934, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 63 THR HN 62 ARG+ HG3 5.0 &rst ixpk= 508, nxpk= 0, iat= 951, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 63 THR QG2 16 LEU QQD 4.5 (#FENOE0531unsureof16assignmentreleasedfrom4.0to4.5on0705) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 957, 958, 959, igr2= 241, 242, 243, 245, 246, 247, &end # # 63 THR QG2 17 LEU QD1 5.0 (#FENOE0531) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 957, 958, 959, igr2= 260, 261, 262, &end # # 63 THR QG2 17 LEU QD2 5.0 (#FENOE0531) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 957, 958, 959, igr2= 264, 265, 266, &end # # 63 THR QG2 76 VAL HA 4.5 (#cnnoe!!0612) &rst ixpk= 508, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 957, 958, 959, &end # # 63 THR QG2 76 VAL QG2 5.0 (#cnnoe!!0612) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 957, 958, 959, igr2=1162,1163,1164, &end # # 64 LEU HN 63 THR HN 5.0 &rst ixpk= 508, nxpk= 0, iat= 965, 951, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 64 LEU HN 65 LYS+ HN 5.0 &rst ixpk= 508, nxpk= 0, iat= 965, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 64 LEU HN 64 LEU QD1 5.0 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 974, 975, 976, &end # # 64 LEU HN 64 LEU QD1 5.0 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 974, 975, 976, &end # # 64 LEU HB2 76 VAL QG2 6.5 (#CNOE0508spindiff?) &rst ixpk= 508, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2=1162,1163,1164, &end # # 64 LEU QD1 76 VAL QG2 5.0 (#CNOE0509) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 974, 975, 976, igr2=1162,1163,1164, &end # # 64 LEU QD1 90 PHE QD 5.5 (#CNOE0509from5.0to5.5on0907spindiff?) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 974, 975, 976, igr2=1381,1389, &end # # 64 LEU QD1 90 PHE QE 4.5 (#CNOE0509outto5.0on0526) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 974, 975, 976, igr2=1383,1387, &end # # 64 LEU QD2 76 VAL QG2 5.0 (#CNOE0509) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 978, 979, 980, igr2=1162,1163,1164, &end # # 64 LEU QD2 90 PHE QD 5.0 (#CNOE0509andcnnoe) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 978, 979, 980, igr2=1381,1389, &end # # 64 LEU QD2 90 PHE QE 4.5 (#medium0521(HZorHE?)andcnnoe) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 978, 979, 980, igr2=1383,1387, &end # # 64 LEU QQD 80 LEU QQD 5.5 (#CNOE0509 #NOEStoLEU233aretherbutwk0521) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 974, 975, 976, 978, 979, 980, igr2=1229,1230,1231,1233,1234,1235, &end # # 64 LEU QQD 17 LEU HB3 5.0 (#fenoeDEFINITE!!0617) &rst ixpk= 508, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 974, 975, 976, 978, 979, 980, &end # # 65 LYS+ HN 64 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat= 984, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 65 LYS+ HN 65 LYS+ HG3 3.5 &rst ixpk= 508, nxpk= 0, iat= 984, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 65 LYS+ HN 65 LYS+ HG2 4.0 &rst ixpk= 508, nxpk= 0, iat= 984, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 65 LYS+ HN 64 LEU QD1 5.0 &rst ixpk= 508, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 974, 975, 976, &end # # 65 LYS+ HN 64 LEU QD1 5.0 &rst ixpk= 508, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 974, 975, 976, &end # # 66 SER HN 65 LYS+ HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1006, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 66 SER HN 63 THR HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1006, 953, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 69 SER HN 68 SER HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1042,1031, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 69 SER HA 70 PRO HA 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat=1044,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 71 GLN HN 72 GLN HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 71 GLN HN 70 PRO HD3 5.0 &rst ixpk= 508, nxpk= 0, iat=1067,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 71 GLN HN 70 PRO HD2 5.0 &rst ixpk= 508, nxpk= 0, iat=1067,1054, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 76 VAL HN 77 LEU HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1152,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 76 VAL HN 75 GLN HA 4.2 &rst ixpk= 508, nxpk= 0, iat=1152,1137, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 76 VAL HN 77 LEU HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1152,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 76 VAL QG1 90 PHE QD 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1158,1159,1160, igr2=1381,1389, &end # # 76 VAL QG2 90 PHE QE 6.0 (#ovlpHZ) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1162,1163,1164, igr2=1383,1387, &end # # 76 VAL QG1 90 PHE QE 6.5 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26, igr1=1158,1159,1160, igr2=1383,1387, &end # # 76 VAL QG1 80 LEU QQD 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1158,1159,1160, igr2=1229,1230,1231,1233,1234,1235, &end # # 76 VAL QG1 17 LEU QQD 6.0 (#FENOE0515Spindiff??0518) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, igr1=1158,1159,1160, igr2= 260, 261, 262, 264, 265, 266, &end # # 76 VAL QG2 28 ILE QD1 3.5 (#FENOE0517) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1162,1163,1164, igr2= 414, 415, 416, &end # # 76 VAL QG1 28 ILE QD1 4.0 (#FENOE0517) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1158,1159,1160, igr2= 414, 415, 416, &end # # 76 VAL QG2 28 ILE HG12 4.5 (#FENOE0517) &rst ixpk= 508, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1162,1163,1164, &end # # 76 VAL QG2 28 ILE HG13 4.5 (#FENOE0517) &rst ixpk= 508, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1162,1163,1164, &end # # 76 VAL QG1 28 ILE HG12 5.0 (#FENOE0517) &rst ixpk= 508, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1158,1159,1160, &end # # 77 LEU HN 76 VAL HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1168,1152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 LEU HN 78 ASN HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1168,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 77 LEU HN 74 GLN HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1168,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 77 LEU HN 77 LEU QD1 5.0 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1177,1178,1179, &end # # 77 LEU HN 77 LEU QD2 5.0 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1181,1182,1183, &end # # 77 LEU HN 76 VAL QG1 5.0 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1158,1159,1160, &end # # 77 LEU QD1 80 LEU QD1 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1177,1178,1179, igr2=1229,1230,1231, &end # # 77 LEU QQD 90 PHE QD 5.0 (#spindiff?0512) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1=1177,1178,1179,1181,1182,1183, igr2=1381,1389, &end # # 77 LEU QQD 90 PHE QE 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1=1177,1178,1179,1181,1182,1183, igr2=1383,1387, &end # # 77 LEU QD1 80 LEU QD2 5.5 (#0530cnoeconfirmreleased0612) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1177,1178,1179, igr2=1233,1234,1235, &end # # 77 LEU QD1 80 LEU QD1 4.5 (#0530cnoeconfirm) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1177,1178,1179, igr2=1229,1230,1231, &end # # 77 LEU QD2 80 LEU QD2 4.5 (#0530cnoeconfirm) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1181,1182,1183, igr2=1233,1234,1235, &end # # 77 LEU QD2 80 LEU QD1 4.5 (#0530cnoeconfirm) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1181,1182,1183, igr2=1229,1230,1231, &end # # 77 LEU QQD 32 LEU QQD 3.5 (#0611fenoe) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1177,1178,1179,1181,1182,1183, igr2= 475, 476, 477, 479, 480, 481, &end # # 77 LEU QQD 32 LEU HA 5.0 (#0611fenoe) &rst ixpk= 508, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1177,1178,1179,1181,1182,1183, &end # # 77 LEU QQD 31 ALA QB 3.5 (#0611fenoe) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1177,1178,1179,1181,1182,1183, igr2= 460, 461, 462, &end # # 78 ASN HN 77 LEU HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1187,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 ASN HN 79 ILE HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1187,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 ASN HN 75 GLN HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1187,1137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 78 ASN HN 74 GLN HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1187,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 79 ILE HN 81 LYS+ HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1201,1239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 79 ILE HN 80 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1201,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 79 ILE HN 78 ASN HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1201,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 79 ILE HN 76 VAL HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1201,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 79 ILE HN 79 ILE QG2 4.0 &rst ixpk= 508, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1207,1208,1209, &end # # 80 LEU HN 81 LYS+ HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1220,1239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 80 LEU HN 79 ILE HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1220,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 LEU HN 77 LEU HA 3.5 (#cnoetight0525) &rst ixpk= 508, nxpk= 0, iat=1220,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 LEU HN 79 ILE QG2 4.0 &rst ixpk= 508, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1207,1208,1209, &end # # 80 LEU HN 79 ILE QD1 5.0 &rst ixpk= 508, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1214,1215,1216, &end # # 80 LEU QD1 90 PHE QD 4.5 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1229,1230,1231, igr2=1381,1389, &end # # 80 LEU QD2 90 PHE QE 4.5 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1233,1234,1235, igr2=1383,1387, &end # # 80 LEU QQD 76 VAL QG2 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1229,1230,1231,1233,1234,1235, igr2=1162,1163,1164, &end # # 81 LYS+ HN 80 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1239,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 81 LYS+ HN 78 ASN HA 4.0 (#cnoetight0525) &rst ixpk= 508, nxpk= 0, iat=1239,1189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 81 LYS+ HN 77 LEU HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1239,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 81 LYS+ HN 80 LEU QQD 5.5 &rst ixpk= 508, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1229,1230,1231,1233,1234,1235, &end # # 82 SER HA 83 ASN HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1263,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 82 SER QB 83 ASN HA 5.0 &rst ixpk= 508, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1265,1266, &end # # 82 SER HA 83 ASN HA 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat=1263,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 82 SER HA 83 ASN HB3 6.5 (#CNOEspindif0512) &rst ixpk= 508, nxpk= 0, iat=1263,1277, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 83 ASN HN 84 PRO HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1272,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 83 ASN HN 84 PRO QD 5.0 &rst ixpk= 508, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1287,1288, &end # # 83 ASN QD2 84 PRO HD2 4.5 &rst ixpk= 508, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1281,1282, &end # # 83 ASN QD2 84 PRO HD3 5.0 &rst ixpk= 508, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1281,1282, &end # # 85 GLN HN 86 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1300,1317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 85 GLN HN 84 PRO QD 5.0 &rst ixpk= 508, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1287,1288, &end # # 86 LEU HN 85 GLN HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1317,1300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 86 LEU HN 87 MET HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1317,1336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 86 LEU HN 88 ALA HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1317,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 86 LEU HN 84 PRO HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1317,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 86 LEU HN 83 ASN HB3 6.5 (#possspindiff) &rst ixpk= 508, nxpk= 0, iat=1317,1277, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 86 LEU HN 83 ASN HB2 5.2 &rst ixpk= 508, nxpk= 0, iat=1317,1276, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 86 LEU HN 85 GLN HG3 5.0 &rst ixpk= 508, nxpk= 0, iat=1317,1308, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 86 LEU HN 85 GLN HG2 5.0 &rst ixpk= 508, nxpk= 0, iat=1317,1307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 86 LEU HN 80 LEU QD2 6.5 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2=1233,1234,1235, &end # # 86 LEU QQD 90 PHE QD 4.5 (#cnoe 0508) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1326,1327,1328,1330,1331,1332, igr2=1381,1389, &end # # 86 LEU QQD 90 PHE QE 5.5 (#cnoe 0508releasedto5.5spindif?0615) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1326,1327,1328,1330,1331,1332, igr2=1383,1387, &end # # 86 LEU QQD 80 LEU QD1 5.0 (#cnoe 0508spindiff?0510) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1326,1327,1328,1330,1331,1332, igr2=1229,1230,1231, &end # # 86 LEU QQD 80 LEU QD2 5.0 (#cnoe 0508) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1326,1327,1328,1330,1331,1332, igr2=1233,1234,1235, &end # # 86 LEU QQD 16 LEU QQD 4.3 (#fenoe 0508) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr1=1326,1327,1328,1330,1331,1332, igr2= 241, 242, 243, 245, 246, 247, &end # # 86 LEU QQD 16 LEU HB2 6.0 (#fenoe 0508spindif?) &rst ixpk= 508, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1326,1327,1328,1330,1331,1332, &end # # 86 LEU QQD 16 LEU HB3 5.0 (#fenoe 0508) &rst ixpk= 508, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1326,1327,1328,1330,1331,1332, &end # # 87 MET HN 87 MET QE 6.5 (#spindif??) &rst ixpk= 508, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2=1347,1348,1349, &end # # 87 MET QE 90 PHE QD 5.0 (#cnoe0510) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1347,1348,1349, igr2=1381,1389, &end # # 87 MET QE 80 LEU QD1 5.5 (#cnoeexpoutspindif?0510) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1347,1348,1349, igr2=1229,1230,1231, &end # # 87 MET QE 90 PHE QE 5.0 (#cnoe0510) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1347,1348,1349, igr2=1383,1387, &end # # 87 MET QE 80 LEU QD2 5.0 (#cnoe0510) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1347,1348,1349, igr2=1233,1234,1235, &end # # 87 MET QE 91 ILE QD1 4.0 (#CNOE0510) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1347,1348,1349, igr2=1406,1407,1408, &end # # 87 MET QE 32 LEU QQD 3.5 (#CNOE0501FENOE0531) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1347,1348,1349, igr2= 475, 476, 477, 479, 480, 481, &end # # 87 MET QE 32 LEU QB 5.0 (#FENOE0531) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1347,1348,1349, igr2= 470, 471, &end # # 88 ALA HN 87 MET HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1353,1336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 88 ALA HN 89 ALA HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1353,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 88 ALA HN 85 GLN HA 3.5 &rst ixpk= 508, nxpk= 0, iat=1353,1302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 89 ALA HN 88 ALA HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1363,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 89 ALA HN 90 PHE HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1363,1373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 90 PHE HN 91 ILE HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1373,1393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 90 PHE HN 89 ALA HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1373,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 90 PHE HN 87 MET HA 3.5 (#cnoetight0525) &rst ixpk= 508, nxpk= 0, iat=1373,1338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 90 PHE HN 90 PHE QD 4.5 &rst ixpk= 508, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1381,1389, &end # # 90 PHE HN 80 LEU QD1 6.5 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2=1229,1230,1231, &end # # 90 PHE HN 80 LEU QD2 6.5 (#RELEASED NOSTEREO) &rst ixpk= 508, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2=1233,1234,1235, &end # # 90 PHE QD 91 ILE HA 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1381,1389, &end # # 90 PHE QD 91 ILE HG13 5.5 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1381,1389, &end # # 90 PHE QD 76 VAL QG1 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1381,1389, igr2=1158,1159,1160, &end # # 90 PHE QD 80 LEU QD1 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1381,1389, igr2=1229,1230,1231, &end # # 90 PHE QD 80 LEU QD2 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1381,1389, igr2=1233,1234,1235, &end # # 90 PHE QE 76 VAL QQG 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1=1383,1387, igr2=1158,1159,1160,1162,1163,1164, &end # # 90 PHE QE 80 LEU QD2 6.5 (#CNOEpossspindiff) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26, igr1=1383,1387, igr2=1233,1234,1235, &end # # 90 PHE QE 80 LEU QD1 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1383,1387, igr2=1229,1230,1231, &end # # 90 PHE HZ 80 LEU QQD 5.5 (#CNOEpossspindiff) &rst ixpk= 508, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1229,1230,1231,1233,1234,1235, &end # # 91 ILE HN 90 PHE HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1393,1373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 91 ILE HN 92 LYS+ HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1393,1412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 91 ILE HN 88 ALA HA 3.5 (#cnoe tight0525) &rst ixpk= 508, nxpk= 0, iat=1393,1355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 91 ILE HN 91 ILE QG1 5.0 &rst ixpk= 508, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1403,1404, &end # # 91 ILE HN 91 ILE QG2 5.0 (#outto5.0on0504) &rst ixpk= 508, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1399,1400,1401, &end # # 91 ILE QD1 34 ILE QD1 5.0 (#FENOE0516) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1406,1407,1408, igr2= 505, 506, 507, &end # # 91 ILE QD1 32 LEU QQD 3.5 (#FENOESTRONG0516) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1406,1407,1408, igr2= 475, 476, 477, 479, 480, 481, &end # # 91 ILE QG2 34 ILE QD1 5.0 (#FENOE0531) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1399,1400,1401, igr2= 505, 506, 507, &end # # 91 ILE QG2 32 LEU QQD 4.5 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1399,1400,1401, igr2= 475, 476, 477, 479, 480, 481, &end # # 91 ILE QD1 32 LEU HA 4.5 (#FENOEandCNNOE0622) &rst ixpk= 508, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1406,1407,1408, &end # # 91 ILE HG12 90 PHE QD 4.5 (#0603cnnoetightened0622) &rst ixpk= 508, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1381,1389, &end # # 91 ILE HG12 88 ALA HA 5.0 (#0603cnnoe) &rst ixpk= 508, nxpk= 0, iat=1403,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 91 ILE QD1 80 LEU QD1 5.5 (#cnnoewkbutdefthere0622) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1406,1407,1408, igr2=1229,1230,1231, &end # # 91 ILE QD1 80 LEU QD2 5.5 (#cnnoewkbutdefthere0622) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1406,1407,1408, igr2=1233,1234,1235, &end # # 91 ILE QD1 87 MET QB 4.0 (#cnnoe0622) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1406,1407,1408, igr2=1340,1341, &end # # 92 LYS+ HN 91 ILE HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1412,1393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 92 LYS+ HN 90 PHE HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1412,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 92 LYS+ HN 88 ALA HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1412,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 94 ARG+ HG2 90 PHE QD 5.0 (#CNOE0508) &rst ixpk= 508, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1381,1389, &end # # 94 ARG+ HG2 90 PHE QE 4.0 (#CNOE0508#tightened0621) &rst ixpk= 508, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1383,1387, &end # # 94 ARG+ HG3 90 PHE QD 5.0 (#CNOE0508) &rst ixpk= 508, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1381,1389, &end # # 94 ARG+ HG3 90 PHE QE 4.0 (#CNOE0508#tightened0621) &rst ixpk= 508, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1383,1387, &end # # 94 ARG+ HG3 34 ILE QG2 5.0 (#FENOE0508) &rst ixpk= 508, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 498, 499, 500, &end # # 94 ARG+ QG 34 ILE QD1 5.0 (#FENOE0508) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1458,1459, igr2= 505, 506, 507, &end # # 94 ARG+ QB 34 ILE QD1 4.5 (#FENOE0508) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1455,1456, igr2= 505, 506, 507, &end # # 94 ARG+ QB 98 TYR QE 5.0 (#CNOE0508wkbutthere0621) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1455,1456, igr2=1531,1536, &end # # 94 ARG+ QD 90 PHE QD 5.0 (#CNOE0508#tightened0621) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1461,1462, igr2=1381,1389, &end # # 94 ARG+ QD 90 PHE QE 4.0 (#CNOE0508#tightened0621) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1461,1462, igr2=1383,1387, &end # # 94 ARG+ QD 34 ILE QG2 6.0 (#FENOE0508#spindif0527?) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1461,1462, igr2= 498, 499, 500, &end # # 94 ARG+ QD 34 ILE QD1 5.0 (#FENOE0516) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1461,1462, igr2= 505, 506, 507, &end # # 95 THR HN 94 ARG+ HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1475,1451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 95 THR HN 96 ALA HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1475,1489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 95 THR HN 95 THR QG2 3.8 &rst ixpk= 508, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=1481,1482,1483, &end # # 95 THR HA 98 TYR QD 5.0 &rst ixpk= 508, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1529,1538, &end # # 95 THR HA 98 TYR QE 5.0 &rst ixpk= 508, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1531,1536, &end # # 95 THR HB 98 TYR QD 5.5 (#backin0616definitereleasedthoughto5.5from4.0on622spindif??) &rst ixpk= 508, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1529,1538, &end # # 95 THR QG2 34 ILE QG2 4.5 (#FENOE0518ADDBACKIN0531 ) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1481,1482,1483, igr2= 498, 499, 500, &end # # 95 THR QG2 38 VAL QQG 3.5 (#FENOE0531) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1481,1482,1483, igr2= 565, 566, 567, 569, 570, 571, &end # # 95 THR QG2 38 VAL HB 4.5 (#FENOE0531) &rst ixpk= 508, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1481,1482,1483, &end # # 96 ALA HN 97 LYS+ HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1489,1499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 96 ALA HN 95 THR HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1489,1475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 96 ALA HN 94 ARG+ HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1489,1453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 96 ALA HN 95 THR QG2 5.0 &rst ixpk= 508, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1481,1482,1483, &end # # 96 ALA HA 99 VAL HB 5.0 (#released-shouldbe3.5,butbadEpenalty0616 ) &rst ixpk= 508, nxpk= 0, iat=1491,1546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 97 LYS+ HN 96 ALA HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1499,1489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 97 LYS+ HN 98 TYR HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1499,1521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 97 LYS+ HN 95 THR HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1499,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 97 LYS+ HB3 98 TYR QE 6.5 (#0508CNOEspindiff?) &rst ixpk= 508, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr2=1531,1536, &end # # 97 LYS+ HB3 98 TYR QD 6.5 (#0508CNOESPINDIFF?) &rst ixpk= 508, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr2=1529,1538, &end # # 97 LYS+ HG2 98 TYR QD 5.0 (#0509CNOE) &rst ixpk= 508, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1529,1538, &end # # 97 LYS+ HG3 98 TYR QE 5.0 (#0509CNOE) &rst ixpk= 508, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1531,1536, &end # # 97 LYS+ HG2 98 TYR QD 5.0 (#0509CNOE) &rst ixpk= 508, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1529,1538, &end # # 97 LYS+ HG3 98 TYR QE 5.0 (#0509CNOE) &rst ixpk= 508, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1531,1536, &end # # 98 TYR HN 97 LYS+ HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1521,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 98 TYR HN 95 THR HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1521,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 98 TYR HN 96 ALA HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1521,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 98 TYR HN 98 TYR QD 3.5 &rst ixpk= 508, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1529,1538, &end # # 98 TYR QB 38 VAL HB 5.0 (#FENOE) &rst ixpk= 508, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1525,1526, &end # # 98 TYR QB 38 VAL QQG 4.0 (#FENOE) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1525,1526, igr2= 565, 566, 567, 569, 570, 571, &end # # 98 TYR QB 34 ILE QG2 5.0 (#FENOE) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1525,1526, igr2= 498, 499, 500, &end # # 98 TYR QB 34 ILE HB 6.0 (#FENOE releasedspindiff??0615released5.5to6.0on1016) &rst ixpk= 508, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1525,1526, &end # # 98 TYR QE 29 ASP- HA 6.0 (#FENOEposssdiffcut0504ADDED0531) &rst ixpk= 508, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1531,1536, &end # # 98 TYR QE 34 ILE HA 5.0 (#FENOE) &rst ixpk= 508, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1531,1536, &end # # 98 TYR QD 34 ILE HA 5.5 (#FENOE #spindiff0515?) &rst ixpk= 508, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1529,1538, &end # # 98 TYR QD 95 THR HA 4.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1529,1538, &end # # 98 TYR QE 95 THR QG2 5.0 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1531,1536, igr2=1481,1482,1483, &end # # 98 TYR QD 99 VAL QQG 4.5 (#CNOE) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1529,1538, igr2=1548,1549,1550,1552,1553,1554, &end # # 98 TYR QD 95 THR HB 6.0 (#CNOE spindiff?) &rst ixpk= 508, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1529,1538, &end # # 99 VAL HN 100 ALA HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1542,1558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 99 VAL HN 98 TYR QD 5.0 &rst ixpk= 508, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1529,1538, &end # # 99 VAL HN 96 ALA HA 5.0 (#releasedbigtimefrom3.5on0619) &rst ixpk= 508, nxpk= 0, iat=1542,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 99 VAL HN 95 THR HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1542,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 99 VAL QQG 38 VAL HB 5.0 (#FENOE-ADDED0531) &rst ixpk= 508, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1548,1549,1550,1552,1553,1554, &end # # 99 VAL QQG 38 VAL HA 5.0 (#FENOE-0531) &rst ixpk= 508, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1548,1549,1550,1552,1553,1554, &end # # 99 VAL QG1 38 VAL QQG 3.5 (#FENOE-0531) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1548,1549,1550, igr2= 565, 566, 567, 569, 570, 571, &end # # 99 VAL QG2 38 VAL QQG 4.0 (#FENOE-0531) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1=1552,1553,1554, igr2= 565, 566, 567, 569, 570, 571, &end # # 99 VAL QQG 38 VAL HA 5.0 (#FENOE-0615) &rst ixpk= 508, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1548,1549,1550,1552,1553,1554, &end # # 99 VAL QQG 38 VAL HB 4.2 (#FENOE-0615-releasedfrom4.0to4.2on0924) &rst ixpk= 508, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1=1548,1549,1550,1552,1553,1554, &end # # 99 VAL QG1 98 TYR QD 5.0 (#CNOE-0615) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1548,1549,1550, igr2=1529,1538, &end # # 99 VAL QG2 98 TYR QD 6.0 (#CNOE-0615spindif??released0615) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1552,1553,1554, igr2=1529,1538, &end # # 100 ALA HN 99 VAL HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1558,1542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 100 ALA HN 96 ALA HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1558,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 101 ASN HN 100 ALA HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1568,1558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 101 ASN HN 99 VAL HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1568,1544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 102 GLN HN 100 ALA HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1582,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 102 GLN HN 100 ALA QB 5.0 &rst ixpk= 508, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1562,1563,1564, &end # # 102 GLN QG 98 TYR QD 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1589,1590, igr2=1529,1538, &end # # 102 GLN QG 98 TYR QE 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1589,1590, igr2=1531,1536, &end # # 90 PHE HN 80 LEU QQD 6.5 (#spindif??) &rst ixpk= 508, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26, igr2=1229,1230,1231,1233,1234,1235, &end # # 76 VAL HA 78 ASN HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1154,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 76 VAL HA 80 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1154,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 76 VAL HA 79 ILE HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1154,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 63 THR HA 66 SER HN 4.0 &rst ixpk= 508, nxpk= 0, iat= 953,1006, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 95 THR HA 98 TYR HN 4.5 &rst ixpk= 508, nxpk= 0, iat=1477,1521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 ILE HA 90 PHE QE 5.5 (#spindif?) &rst ixpk= 508, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1383,1387, &end # # 91 ILE HA 94 ARG+ HN 4.0 &rst ixpk= 508, nxpk= 0, iat=1395,1451, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 84 PRO HA 87 MET HN 4.0 &rst ixpk= 508, nxpk= 0, iat=1296,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 84 PRO HA 86 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1296,1317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 79 ILE HA 82 SER HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1203,1261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 90 PHE HA 94 ARG+ HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1375,1451, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ILE HA 49 ASN HA 4.5 &rst ixpk= 508, nxpk= 0, iat= 778, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 87 MET HA 91 ILE HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1338,1393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 81 LYS+ HA 83 ASN HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1241,1272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 77 LEU HA 79 ILE HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1170,1201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 80 LEU HA 83 ASN HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1222,1272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 57 LEU HA 61 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat= 843, 908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 60 LEU HA 63 THR HN 4.0 &rst ixpk= 508, nxpk= 0, iat= 891, 951, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 97 LYS+ HA 100 ALA HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1501,1558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 86 LEU HA 89 ALA HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1319,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 86 LEU HA 90 PHE HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1319,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 69 SER HA 71 GLN HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1044,1067, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 78 ASN HA 80 LEU HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1189,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 94 ARG+ HA 97 LYS+ HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1453,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 88 ALA HA 90 PHE HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1355,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 89 ALA HA 92 LYS+ HN 3.5 &rst ixpk= 508, nxpk= 0, iat=1365,1412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 89 ALA HA 93 GLN HN 5.0 &rst ixpk= 508, nxpk= 0, iat=1365,1434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 77 LEU HA 80 LEU QQD 4.5 &rst ixpk= 508, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1229,1230,1231,1233,1234,1235, &end # # 63 THR HB 79 ILE QD1 4.5 &rst ixpk= 508, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1214,1215,1216, &end # # 63 THR HB 79 ILE HB 5.0 &rst ixpk= 508, nxpk= 0, iat= 955,1205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 84 PRO HB2 83 ASN HA 6.5 (#spindif?0526) &rst ixpk= 508, nxpk= 0, iat=1293,1274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 84 PRO HB3 83 ASN HA 5.5 &rst ixpk= 508, nxpk= 0, iat=1294,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 65 LYS+ HB2 62 ARG+ HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 988, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 65 LYS+ HB3 62 ARG+ HA 3.5 &rst ixpk= 508, nxpk= 0, iat= 989, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 94 ARG+ HE 98 TYR QE 5.0 &rst ixpk= 508, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1531,1536, &end # # 94 ARG+ HE 34 ILE QG2 5.0 &rst ixpk= 508, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 498, 499, 500, &end # # 64 LEU HB2 61 LEU HA 4.5 &rst ixpk= 508, nxpk= 0, iat= 969, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 LEU HB3 61 LEU HA 4.5 &rst ixpk= 508, nxpk= 0, iat= 970, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 LYS+ HD2 93 GLN QE 5.0 &rst ixpk= 508, nxpk= 0, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1446,1447, &end # # 97 LYS+ HD3 93 GLN QE 5.0 &rst ixpk= 508, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1446,1447, &end # # 87 MET HG2 80 LEU QQD 5.0 &rst ixpk= 508, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr2=1229,1230,1231,1233,1234,1235, &end # # 87 MET HG3 80 LEU QQD 5.0 &rst ixpk= 508, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr2=1229,1230,1231,1233,1234,1235, &end # # 87 MET HG2 86 LEU QQD 5.0 (#released0527) &rst ixpk= 508, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr2=1326,1327,1328,1330,1331,1332, &end # # 87 MET HG3 86 LEU QQD 6.5 (#spindif?) &rst ixpk= 508, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26, igr2=1326,1327,1328,1330,1331,1332, &end # # 94 ARG+ HB2 98 TYR QE 5.0 &rst ixpk= 508, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1531,1536, &end # # 94 ARG+ HB2 94 ARG+ HE 4.5 &rst ixpk= 508, nxpk= 0, iat=1455,1464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 94 ARG+ HB2 34 ILE QG2 4.5 &rst ixpk= 508, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 498, 499, 500, &end # # 94 ARG+ HB3 34 ILE QD1 4.0 &rst ixpk= 508, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 505, 506, 507, &end # # 94 ARG+ HB3 34 ILE QG2 4.5 &rst ixpk= 508, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 498, 499, 500, &end # # 91 ILE QG1 90 PHE QD 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1403,1404, igr2=1381,1389, &end # # 75 GLN HA 78 ASN HB2 3.5 &rst ixpk= 508, nxpk= 0, iat=1137,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 GLN HA 78 ASN HB3 3.5 &rst ixpk= 508, nxpk= 0, iat=1137,1192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 94 ARG+ HE 98 TYR HD 5.0 &rst ixpk= 508, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1529,1538, &end # # 94 ARG+ HE 98 TYR HE 4.0 &rst ixpk= 508, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1531,1536, &end # # 94 ARG+ HE 94 ARG+ HA 4.5 (#added0622) &rst ixpk= 508, nxpk= 0, iat=1464,1453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 GLN HA 79 ILE QD1 4.5 &rst ixpk= 508, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1214,1215,1216, &end # # 75 GLN HA 63 THR QG2 4.5 &rst ixpk= 508, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 957, 958, 959, &end # # 75 GLN HA 76 VAL HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1137,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 85 GLN HA 88 ALA QB 3.5 &rst ixpk= 508, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1357,1358,1359, &end # # 79 ILE QG1 76 VAL HA 5.0 &rst ixpk= 508, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1211,1212, &end # # 75 GLN QB 79 ILE QD1 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1139,1140, igr2=1214,1215,1216, &end # # 75 GLN QB 63 THR QG2 4.0 (#releasedfrom3.5to4.0on0927) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1139,1140, igr2= 957, 958, 959, &end # # 75 GLN QB 76 VAL QG1 6.0 (#released0702) &rst ixpk= 508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1139,1140, igr2=1158,1159,1160, &end # # 86 LEU QQD 80 LEU HA 5.0 &rst ixpk= 508, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1326,1327,1328,1330,1331,1332, &end # # 81 LYS+ HD2 78 ASN HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1249,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 81 LYS+ HD3 78 ASN HA 5.0 &rst ixpk= 508, nxpk= 0, iat=1250,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 57 LEU QQD 54 PRO HA 5.0 &rst ixpk= 508, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 850, 851, 852, 854, 855, 856, &end # # 80 LEU HG 76 VAL QG2 5.0 &rst ixpk= 508, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1162,1163,1164, &end # # 80 LEU QD1 90 PHE HB2 5.0 &rst ixpk= 508, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1229,1230,1231, &end # # 80 LEU QD1 90 PHE HB3 5.0 &rst ixpk= 508, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1229,1230,1231, &end # # 80 LEU QD2 90 PHE HB2 5.0 &rst ixpk= 508, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1233,1234,1235, &end # # 80 LEU QD2 90 PHE HB3 5.0 &rst ixpk= 508, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1233,1234,1235, &end # # 80 LEU QD1 77 LEU HA 4.5 &rst ixpk= 508, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1229,1230,1231, &end # # 80 LEU QD2 77 LEU HA 4.5 &rst ixpk= 508, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1233,1234,1235, &end # # 63 THR QG2 75 GLN HE21 4.0 &rst ixpk= 508, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 957, 958, 959, &end # # 63 THR QG2 75 GLN HE22 4.0 &rst ixpk= 508, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 957, 958, 959, &end # # 64 LEU QQD 75 GLN HE22 4.0 (#-recipnoesthere) &rst ixpk= 508, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 974, 975, 976, 978, 979, 980, &end # # 64 LEU QQD 75 GLN HE21 4.0 (#-recipnoesthere) &rst ixpk= 508, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 974, 975, 976, 978, 979, 980, &end # # 76 VAL QG1 75 GLN HE21 4.5 &rst ixpk= 508, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1158,1159,1160, &end # # 76 VAL QG1 75 GLN HE22 4.5 &rst ixpk= 508, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1158,1159,1160, &end # # 75 GLN HG2 63 THR QG2 4.5 (#outfrom4.0to4.5on0912) &rst ixpk= 508, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 957, 958, 959, &end # # 75 GLN HG3 63 THR QG2 3.5 &rst ixpk= 508, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 957, 958, 959, &end # # 0 AMB 21-2:0 0 AMB 21-1:0 6.50 (# 0:21 Double Ambigpossspindif0611&616outto6.5) &rst ixpk= 0, nxpk= 21, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr2=1529,1538, &end # # 0 AMB 21-2:1 0 AMB 21-1:1 5.50 (# 1:21 Double Ambig) &rst ixpk= 1, nxpk= 21, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1529,1538, &end # # 0 AMB 21-2:2 0 AMB 21-1:2 5.50 (# 2:21 Double Ambig) &rst ixpk= 2, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1= 70, 516, 258, 8, 122, 533, 563, igr2=1529,1538, &end # # 0 AMB 21-2:3 0 AMB 21-1:3 5.50 (# 3:21 Double Ambig) &rst ixpk= 3, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 496, 89, 88, 139, 516, 359, 258, 122, 411, igr2=1529,1538, &end # # 0 AMB 21-2:4 0 AMB 21-1:4 5.50 (# 4:21 Double Ambig) &rst ixpk= 4, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1= 516, 258, 122, 141, 325, 326, 327, igr2=1529,1538, &end # # 0 AMB 21-2:5 0 AMB 21-1:5 4.50 (# 5:21 Double Ambig) &rst ixpk= 5, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, igr2=1529,1538, &end # # 0 AMB 21-2:6 0 AMB 21-1:6 5.50 (# 6:21 Double Ambig) &rst ixpk= 6, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 264, 265, 266, 498, 499, 500, igr2=1529,1538, &end # # 0 AMB 21-2:7 0 AMB 21-1:7 5.50 (# 7:21 Double Ambig) &rst ixpk= 7, nxpk= 21, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1381,1389, &end # # 0 AMB 21-2:8 0 AMB 21-1:8 5.50 (# 8:21 Double Ambig) &rst ixpk= 8, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 255, 138, 516, 544, 258, 122, 236, 356, igr2=1381,1389, &end # # 0 AMB 21-2:9 0 AMB 21-1:9 5.50 (# 9:21 Double Ambig) &rst ixpk= 9, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 516, 239, 258, 122, 440, 471, 357, 189, igr2=1381,1389, &end # # 0 AMB 21-2:10 0 AMB 21-1:10 4.50 (# 10:21 Double Ambig) &rst ixpk= 10, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 260, 261, 262, igr2=1381,1389, &end # # 0 AMB 21-2:11 0 AMB 21-1:11 4.50 (# 11:21 Double Ambig) &rst ixpk= 11, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, igr1= 241, 242, 243, 365, 366, 367, 258, 414, 415, 416, 122, 569, 570, 571, igr2=1381,1389, &end # # 0 AMB 21-2:12 0 AMB 21-1:12 4.50 (# 12:21 Double Ambig) &rst ixpk= 12, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 479, 480, 481, 128, 129, 130, 143, 144, 145, igr2=1381,1389, &end # # 0 AMB 21-2:13 0 AMB 21-1:13 5.50 (# 13:21 Double Ambig) &rst ixpk= 13, nxpk= 21, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1381,1389, &end # # 0 AMB 21-2:14 0 AMB 21-1:14 5.50 (# 14:21 Double Ambig) &rst ixpk= 14, nxpk= 21, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1383,1387, &end # # 0 AMB 21-2:15 0 AMB 21-1:15 5.50 (# 15:21 Double Ambig) &rst ixpk= 15, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 323, 468, 422, 297, igr2=1383,1387, &end # # 0 AMB 21-2:16 0 AMB 21-1:16 5.50 (# 16:21 Double Ambig) &rst ixpk= 16, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 516, 375, 405, 390, igr2=1383,1387, &end # # 0 AMB 21-2:17 0 AMB 21-1:17 5.50 (# 17:21 Double Ambig) &rst ixpk= 17, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 255, 516, 544, 258, 122, 356, igr2=1383,1387, &end # # 0 AMB 21-2:18 0 AMB 21-1:18 5.50 (# 18:21 Double Ambig) &rst ixpk= 18, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 496, 516, 239, 258, 122, igr2=1383,1387, &end # # 0 AMB 21-2:19 0 AMB 21-1:19 4.50 (# 19:21 Double Ambig) &rst ixpk= 19, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, igr1= 241, 242, 243, 365, 366, 367, 258, 414, 415, 416, 122, 569, 570, 571, igr2=1383,1387, &end # # 0 AMB 21-2:20 0 AMB 21-1:20 3.50 (# 20:21 Double Ambig) &rst ixpk= 20, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 260, 261, 262, igr2=1383,1387, &end # # 0 AMB 21-2:21 0 AMB 21-1:21 4.50 (# 21:21 Double Ambig) &rst ixpk= 21, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407, 408, 409, igr2=1383,1387, &end # # 0 AMB 21-2:22 90 PHE HZ 5.50 (# 22:21 Single Ambig) &rst ixpk= 22, nxpk= 21, iat= 354,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 21-2:23 90 PHE HZ 5.50 (# 23:21 Single Ambig) &rst ixpk= 23, nxpk= 21, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 516, 405, &end # # 0 AMB 21-2:24 90 PHE HZ 6.00 (# 24:21 Single Ambig) &rst ixpk= 24, nxpk= 21, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 255, 516, 258, 122, 356, &end # # 0 AMB 21-2:25 90 PHE HZ 5.50 (# 25:21 Single Ambig) &rst ixpk= 25, nxpk= 21, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 496, 89, 88, 139, 516, 359, 258, 122, 411, &end # # 0 AMB 21-2:26 90 PHE HZ 4.50 (# 26:21 Single Ambig) &rst ixpk= 26, nxpk= 21, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 241, 242, 243, 258, 414, 415, 416, 122, 569, 570, 571, &end # # 0 AMB 21-2:27 90 PHE HZ 4.50 (# 27:21 Single Ambig) &rst ixpk= 27, nxpk= 21, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 264, 265, 266, 260, 261, 262, &end # # 0 AMB 21-2:28 90 PHE HZ 4.50 (# 28:21 Single Ambig) &rst ixpk= 28, nxpk= 21, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407, 408, 409, &end # # 0 AMB 21-2:31 0 AMB 21-1:31 5.50 (# 31:21 Double Ambig) &rst ixpk= 31, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1= 323, 591, 468, 335, 422, 632, 297, igr2=1531,1536, &end # # 0 AMB 21-2:32 0 AMB 21-1:32 5.50 (# 32:21 Double Ambig) &rst ixpk= 32, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 494, 21, igr2=1531,1536, &end # # 0 AMB 21-2:36 0 AMB 21-1:36 5.50 (# 36:21 Double Ambig) &rst ixpk= 36, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 169, 516, 34, 33, 173, 379, 378, 378, 621, 620, igr2=1531,1536, &end # # 0 AMB 21-2:37 0 AMB 21-1:37 5.50 (# 37:21 Double Ambig) &rst ixpk= 37, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 516, 375, 390, 533, igr2=1531,1536, &end # # 0 AMB 21-2:38 0 AMB 21-1:38 5.50 (# 38:21 Double Ambig) &rst ixpk= 38, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 71, 119, 518, 516, 258, 594, 122, 437, 436, 86, igr2=1531,1536, &end # # 0 AMB 21-2:39 0 AMB 21-1:39 5.50 (# 39:21 Double Ambig) &rst ixpk= 39, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 496, 89, 88, 139, 516, 239, 359, 258, 122, 411, igr2=1531,1536, &end # # 0 AMB 21-2:40 0 AMB 21-1:40 5.50 (# 40:21 Double Ambig) &rst ixpk= 40, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 516, 258, 122, 327, 326, 327, igr2=1531,1536, &end # # 0 AMB 21-2:41 0 AMB 21-1:41 5.50 (# 41:21 Double Ambig) &rst ixpk= 41, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, igr2=1531,1536, &end # # 0 AMB 21-2:42 0 AMB 21-1:42 5.50 (# 42:21 Double Ambig) &rst ixpk= 42, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 264, 265, 266, 498, 499, 500, igr2=1531,1536, &end # # 0 AMB 21-2:48 51 SER HA 5.50 (# 48:21 Single Ambig) &rst ixpk= 48, nxpk= 21, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 553, 554, 555, 191, 192, 193, &end # # 0 AMB 21-2:52 86 LEU HA 5.50 (# 52:21 Single Ambig) &rst ixpk= 52, nxpk= 21, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414, 415, 416, 549, 550, 551, 553, 554, 555, 191, 192, 193, &end # # 0 AMB 21-2:54 95 THR HB 4.50 (# 54:21 Single Ambig) &rst ixpk= 54, nxpk= 21, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:55 95 THR HB 5.50 (# 55:21 Single Ambig) &rst ixpk= 55, nxpk= 21, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 264, 265, 266, 498, 499, 500, &end # # 0 AMB 21-2:59 63 THR HB 5.50 (# 59:21 Single Ambig) &rst ixpk= 59, nxpk= 21, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:60 63 THR HB 5.50 (# 60:21 Single Ambig) &rst ixpk= 60, nxpk= 21, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 260, 261, 262, &end # # 0 AMB 21-2:62 89 ALA HA 5.00 (# 62:21 Single Ambigmisassigned!!->0614Ala42/89) &rst ixpk= 62, nxpk= 21, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 124, 125, 126, 143, 144, 145, 191, 192, 193, &end # # 0 AMB 21-2:64 96 ALA HA 5.50 (# 64:21 Single Ambig) &rst ixpk= 64, nxpk= 21, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 649, 650, 651, 653, 654, 655, &end # # 0 AMB 21-2:69 97 LYS HA 5.50 (# 69:21 Single Ambig) &rst ixpk= 69, nxpk= 21, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 591, 468, 422, 632, 297, &end # # 0 AMB 21-2:70 97 LYS HA 5.50 (# 70:21 Single Ambig) &rst ixpk= 70, nxpk= 21, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 301, 302, 303, 224, 225, 226, &end # # 0 AMB 21-2:73 94 ARG HA 5.50 (# 73:21 Single Ambig) &rst ixpk= 73, nxpk= 21, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 245, 246, 247, 365, 366, 367, 258, 122, &end # # 0 AMB 21-2:74 94 ARG HA 5.50 (# 74:21 Single Ambig) &rst ixpk= 74, nxpk= 21, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 264, 265, 266, 498, 499, 500, &end # # 0 AMB 21-2:81 60 LEU HA 5.50 (# 81:21 Single Ambig) &rst ixpk= 81, nxpk= 21, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414, 415, 416, 553, 554, 555, 191, 192, 193, &end # # 0 AMB 21-2:83 64 LEU HA 5.50 (# 83:21 Single Ambig) &rst ixpk= 83, nxpk= 21, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1= 241, 242, 243, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, &end # # 0 AMB 21-2:85 54 PRO HA 4.50 (# 85:21 Single Ambig) &rst ixpk= 85, nxpk= 21, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 553, 554, 555, 191, 192, 193, &end # # 0 AMB 21-2:86 57 LEU HA 5.50 (# 86:21 Single Ambig) &rst ixpk= 86, nxpk= 21, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191, 192, 193, &end # # 0 AMB 21-2:87 0 AMB 21-1:87 5.50 (# 87:21 Double Ambig) &rst ixpk= 87, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 333, 591, 468, 333, 335, 422, 272, 297, 6, igr2= 800,1035, &end # # 0 AMB 21-2:89 0 AMB 21-1:89 5.50 (# 89:21 Double Ambig) &rst ixpk= 89, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 569, 570, 571, 191, 192, 193, igr2= 800,1035, &end # # 0 AMB 21-2:90 0 AMB 21-1:90 5.50 (# 90:21 Double Ambig) &rst ixpk= 90, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71, igr1= 496, 89, 88, 519, 139, 516, 359, 258, 122, 411, 237, igr2=1222, 910, &end # # 0 AMB 21-2:91 0 AMB 21-1:91 4.50 (# 91:21 Double Ambig) &rst ixpk= 91, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, igr2=1222, 910, &end # # 0 AMB 21-2:92 0 AMB 21-1:92 5.50 (# 92:21 Double Ambig) &rst ixpk= 92, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407, 408, 409, igr2=1222, 910, &end # # 0 AMB 21-2:94 0 AMB 21-1:94 5.50 (# 94:21 Double Ambig) &rst ixpk= 94, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 516, 34, 33, 379, 378, 596, 532, 621, 620, igr2= 770, 769, &end # # 0 AMB 21-2:95 0 AMB 21-1:95 5.50 (# 95:21 Double Ambig) &rst ixpk= 95, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 73, 516, 597, 12, 11, 667, 666, 617, igr2= 770, 769, &end # # 0 AMB 21-2:96 0 AMB 21-1:96 5.50 (# 96:21 Double Ambig) &rst ixpk= 96, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414, 415, 416, 553, 554, 555, 191, 192, 193, igr2= 770, 769, &end # # 0 AMB 21-2:97 95 THR HA 5.50 (# 97:21 Single Ambig) &rst ixpk= 97, nxpk= 21, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 264, 265, 266, 498, 499, 500, &end # # 0 AMB 21-2:98 95 THR HA 5.50 (# 98:21 Single Ambig) &rst ixpk= 98, nxpk= 21, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:99 90 PHE HA 5.50 (# 99:21 Single Ambig) &rst ixpk= 99, nxpk= 21, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 255, 692, 138, 516, 258, 530, 122, 236, 356, &end # # 0 AMB 21-2:100 90 PHE HA 6.00 (# 100:21 Single Ambig #releasedto6.0on0615) &rst ixpk= 100, nxpk= 21, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191, 192, 193, &end # # 0 AMB 21-2:101 90 PHE HA 5.50 (# 101:21 Single Ambig) &rst ixpk= 101, nxpk= 21, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 264, 265, 266, 498, 499, 500, &end # # 0 AMB 21-2:102 68 SER HB3 5.50 (# 102:21 Single Ambig) &rst ixpk= 102, nxpk= 21, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 323, 591, 468, 335, 422, 632, 272, 297, 6, &end # # 0 AMB 21-2:104 68 SER HB3 5.50 (# 104:21 Single Ambig) &rst ixpk= 104, nxpk= 21, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 337, 338, 339, 516, 301, 302, 303, 258, 122, 224, 225, 226, &end # # 0 AMB 21-2:106 77 LEU HA 5.50 (# 106:21 Single Ambig) &rst ixpk= 106, nxpk= 21, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 473, 516, 545, 258, 122, 547, 462, 461, 462, &end # # 0 AMB 21-2:107 77 LEU HA 5.50 (# 107:21 Single Ambig) &rst ixpk= 107, nxpk= 21, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1= 241, 242, 243, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, &end # # 0 AMB 21-2:108 77 LEU HA 5.50 (# 108:21 Single Ambig) &rst ixpk= 108, nxpk= 21, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407, 408, 409, &end # # 0 AMB 21-2:114 91 ILE HA 5.50 (# 114:21 Single Ambig) &rst ixpk= 114, nxpk= 21, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 591, 422, 632, 690, &end # # 0 AMB 21-2:115 91 ILE HA 5.50 (# 115:21 Single Ambig) &rst ixpk= 115, nxpk= 21, iat= 496,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 21-2:116 91 ILE HA 5.50 (# 116:21 Single Ambig) &rst ixpk= 116, nxpk= 21, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 505, 506, 507, 258, 122, 503, &end # # 0 AMB 21-2:117 91 ILE HA 5.50 (# 117:21 Single Ambig) &rst ixpk= 117, nxpk= 21, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 128, 129, 130, 143, 144, 145, 549, 550, 551, &end # # 0 AMB 21-2:118 91 ILE HA 5.50 (# 118:21 Single Ambig) &rst ixpk= 118, nxpk= 21, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 260, 261, 262, 498, 499, 500, &end # # 0 AMB 21-2:120 90 PHE HB2 5.50 (# 120:21 Single Ambig) &rst ixpk= 120, nxpk= 21, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 264, 265, 266, 498, 499, 500, &end # # 0 AMB 21-2:121 76 VAL HA 5.50 (# 121:21 Single Ambig) &rst ixpk= 121, nxpk= 21, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 475, 476, 477, 407, 408, 409, &end # # 0 AMB 21-2:122 76 VAL HA 5.50 (# 122:21 Single Ambig) &rst ixpk= 122, nxpk= 21, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:123 98 TYR HB2 5.50 (# 123:21 Single Ambig) &rst ixpk= 123, nxpk= 21, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 70, 516, 258, 593, 8, 122, 563, &end # # 0 AMB 21-2:124 98 TYR HB2 5.50 (# 124:21 Single Ambig) &rst ixpk= 124, nxpk= 21, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:125 94 ARG HD3 5.50 (# 125:21 Single Ambig) &rst ixpk= 125, nxpk= 21, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 255, 516, 544, 258, 122, 236, 356, &end # # 0 AMB 21-2:129 0 AMB 21-1:129 5.50 (# 129:21 Double Ambig) &rst ixpk= 129, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 348, 488, 117, 136, igr2=1326,1327,1328, &end # # 0 AMB 21-2:130 0 AMB 21-1:130 5.50 (# 130:21 Double Ambig) &rst ixpk= 130, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03, igr1= 473, 516, 545, 258, 122, 547, 462, 461, 462, igr2=1326,1327,1328, &end # # 0 AMB 21-2:131 0 AMB 21-1:131 4.50 (# 131:21 Double Ambig) &rst ixpk= 131, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 191, 192, 193, igr2=1326,1327,1328, &end # # 0 AMB 21-2:132 0 AMB 21-1:132 5.50 (# 132:21 Double Ambig) &rst ixpk= 132, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 264, 265, 266, 498, 499, 500, igr2=1326,1327,1328, &end # # 0 AMB 21-2:133 61 LEU HB2 5.50 (# 133:21 Single Ambig) &rst ixpk= 133, nxpk= 21, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 191, 192, 193, &end # # 0 AMB 21-2:134 52 ILE HB 5.50 (# 134:21 Single Ambig) &rst ixpk= 134, nxpk= 21, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 74, 73, 516, 597, 12, 11, &end # # 0 AMB 21-2:135 52 ILE HB 5.50 (# 135:21 Single Ambig) &rst ixpk= 135, nxpk= 21, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191, 192, 193, &end # # 0 AMB 21-2:136 61 LEU HB3 4.50 (# 136:21 Single Ambig) &rst ixpk= 136, nxpk= 21, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191, 192, 193, &end # # 0 AMB 21-2:137 64 LEU HB3 4.50 (# 137:21 Single Ambig) &rst ixpk= 137, nxpk= 21, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:138 0 AMB 21-1:138 5.50 (# 138:21 Double Ambig) &rst ixpk= 138, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 591, 468, 422, 632, 297, 690, igr2=1357,1358,1359,1367,1368,1369, &end # # 0 AMB 21-2:139 0 AMB 21-1:139 5.50 (# 139:21 Double Ambig) &rst ixpk= 139, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 239, 258, 138, 139, igr2=1357,1358,1359,1367,1368,1369, &end # # 0 AMB 21-2:140 0 AMB 21-1:140 3.50 (# 140:21 Double Ambig) &rst ixpk= 140, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191, 192, 193, igr2=1357,1358,1359,1367,1368,1369, &end # # 0 AMB 21-2:141 0 AMB 21-1:141 5.50 (# 141:21 Double Ambig) &rst ixpk= 141, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 264, 265, 266, 498, 499, 500, igr2=1357,1358,1359,1367,1368,1369, &end # # 0 AMB 21-2:142 0 AMB 21-1:142 4.50 (# 142:21 Double Ambig) &rst ixpk= 142, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 569, 570, 571, 191, 192, 193, igr2=1481,1482,1483, &end # # 0 AMB 21-2:143 0 AMB 21-1:143 5.50 (# 143:21 Single Ambig) &rst ixpk= 143, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 264, 265, 266, 498, 499, 500, igr2=1481,1482,1483, &end # # 0 AMB 21-2:144 91 ILE HG13 5.50 (# 144:21 Single Ambig) &rst ixpk= 144, nxpk= 21, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 245, 246, 247, 505, 506, 507, 258, 122, &end # # 0 AMB 21-2:145 91 ILE HG13 5.50 (# 145:21 Single Ambig) &rst ixpk= 145, nxpk= 21, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 479, 480, 481, 128, 129, 130, &end # # 0 AMB 21-2:146 0 AMB 21-1:146 5.50 (# 146:21 Double Ambig) &rst ixpk= 146, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03, igr1= 496, 89, 88, 139, 516, 359, 258, 122, 411, igr2=1158,1159,1160, &end # # 0 AMB 21-2:147 0 AMB 21-1:147 5.50 (# 147:21 Double Ambig) &rst ixpk= 147, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03, igr1= 260, 261, 262, 498, 499, 500,1162,1163,1164, igr2=1158,1159,1160, &end # # 0 AMB 21-2:148 0 AMB 21-1:148 5.50 (# 148:21 Double Ambig) &rst ixpk= 148, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.37, r4=11.87, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, 565, 566, 567, 549, 550, 551, igr2=1158,1159,1160, &end # # 0 AMB 21-2:149 0 AMB 21-1:149 4.50 (# 149:21 Double Ambig) &rst ixpk= 149, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97, igr1= 70, 516, 258, 593, 8, 122, 563, igr2=1548,1549,1550, &end # # 0 AMB 21-2:150 0 AMB 21-1:150 3.50 (# 150:21 Double Ambig) &rst ixpk= 150, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, 651, 649, 650, 653, 654, 655, igr2=1548,1549,1550, &end # # 0 AMB 21-2:151 0 AMB 21-1:151 4.50 (# 151:21 Double Ambig) &rst ixpk= 151, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 241, 242, 243, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 651, 649, 650, 653, 654, 655, igr2= 974, 975, 976, &end # # 0 AMB 21-2:152 0 AMB 21-1:152 4.50 (# 152:21 Double Ambig) &rst ixpk= 152, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25, igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414, 415, 416, 553, 554, 555, 191, 192, 193, igr2= 850, 851, 852, &end # # 0 AMB 21-2:153 0 AMB 21-1:153 4.50 (# 153:21 Double Ambig) &rst ixpk= 153, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191, 192, 193, igr2= 854, 855, 856, &end # # 0 AMB 21-2:154 0 AMB 21-1:154 4.00 (# 154:21 Double Ambig) &rst ixpk= 154, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 462, 461, 462, igr2=1181,1182,1183,1177,1178,1179, &end # # 0 AMB 21-2:155 0 AMB 21-1:155 4.00 (# 155:21 Double Ambig) &rst ixpk= 155, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1= 475, 476, 477, 479, 480, 481, igr2=1181,1182,1183,1177,1178,1179, &end # # 0 AMB 21-2:156 0 AMB 21-1:156 5.50 (# 156:21 Double Ambig) &rst ixpk= 156, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, igr2=1214,1215,1216, &end # # 0 AMB 21-2:157 0 AMB 21-1:157 5.50 (# 157:21 Double Ambig) &rst ixpk= 157, nxpk= 21, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1162,1163,1164, &end # # 0 AMB 21-2:158 0 AMB 21-1:158 5.50 (# 158:21 Double Ambig) &rst ixpk= 158, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 521, 403, igr2=1162,1163,1164, &end # # 0 AMB 21-2:159 0 AMB 21-1:159 5.50 (# 159:21 Double Ambig) &rst ixpk= 159, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 73, 30, 516, 405, 597, 617, igr2=1162,1163,1164, &end # # 0 AMB 21-2:160 0 AMB 21-1:160 5.50 (# 160:21 Double Ambig) &rst ixpk= 160, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35, igr1= 496, 89, 88, 519, 139, 516, 359, 258, 122, 411, 237, igr2=1162,1163,1164, &end # # 0 AMB 21-2:161 0 AMB 21-1:161 5.50 (# 161:21 Double Ambig) &rst ixpk= 161, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 258, 122, igr2=1162,1163,1164, &end # # 0 AMB 21-2:162 0 AMB 21-1:162 4.50 (# 162:21 Double Ambig) &rst ixpk= 162, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407, 408, 409, igr2=1162,1163,1164, &end # # 0 AMB 21-2:163 0 AMB 21-1:163 3.50 (# 163:21 Double Ambig) &rst ixpk= 163, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 569, 570, 571, 191, 192, 193, igr2=1162,1163,1164, &end # # 0 AMB 21-2:164 0 AMB 21-1:164 5.50 (# 164:21 Double Ambig) &rst ixpk= 164, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 264, 265, 266, igr2=1162,1163,1164, &end # # 0 AMB 21-2:166 0 AMB 21-1:166 5.50 (# 166:21 Double Ambig) &rst ixpk= 166, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03, igr1= 255, 692, 138, 516, 544, 258, 122, 236, 356, igr2=1229,1230,1231, &end # # 0 AMB 21-2:167 0 AMB 21-1:167 5.50 (# 167:21 Double Ambig) &rst ixpk= 167, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 645, 644, 516, 239, 258, 122, 440, 189, igr2=1229,1230,1231, &end # # 0 AMB 21-2:168 0 AMB 21-1:168 5.50 (# 168:21 Double Ambig) &rst ixpk= 168, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 264, 265, 266, 498, 499, 500, igr2=1229,1230,1231, &end # # 0 AMB 21-2:169 0 AMB 21-1:169 4.50 (# 169:21 Double Ambig) &rst ixpk= 169, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr1= 128, 129, 130, 143, 144, 145, 549, 550, 551, 191, 192, 193, 195, 196, 197, 361, 362, 363, 365, 366, 367, igr2=1229,1230,1231, &end # # 0 AMB 21-2:171 0 AMB 21-1:171 5.50 (# 171:21 Double Ambig) &rst ixpk= 171, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr1= 519, 516, 258, 122, 237, igr2=1233,1234,1235, &end # # 0 AMB 21-2:172 0 AMB 21-1:172 5.50 (# 172:21 Double Ambig) &rst ixpk= 172, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1= 645, 644, 516, 239, 258, 122, 440, 471, 357, 189, igr2=1233,1234,1235, &end # # 0 AMB 21-2:173 0 AMB 21-1:173 5.50 (# 173:21 Double Ambig) &rst ixpk= 173, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, igr2=1233,1234,1235, &end # # 0 AMB 21-2:174 0 AMB 21-1:174 5.50 (# 174:21 Double Ambig) &rst ixpk= 174, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 264, 265, 266, 498, 499, 500, igr2=1233,1234,1235, &end # # 0 AMB 21-2:175 0 AMB 21-1:175 4.50 (# 175:21 Double Ambig) &rst ixpk= 175, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407, 408, 409, igr2=1233,1234,1235, &end # # 0 AMB 21-2:176 65 LYS HG3 5.50 (# 176:21 Single Ambig) &rst ixpk= 176, nxpk= 21, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:177 0 AMB 21-1:177 5.50 (# 177:21 Double Ambig) &rst ixpk= 177, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75, igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414, 415, 416, 549, 550, 551, 553, 554, 555, 191, 192, 193, igr2=1241, 929, &end # # 0 AMB 21-2:179 0 AMB 21-1:179 5.50 (# 179:21 Double Ambig) &rst ixpk= 179, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.58, r4=12.08, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, 143, 144, 145, 147, 148, 149, 128, 129, 130, igr2= 957, 958, 959, &end # # 0 AMB 21-2:180 0 AMB 21-1:180 5.50 (# 180:21 Double Ambig) &rst ixpk= 180, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 260, 261, 262, igr2= 957, 958, 959, &end # # 0 AMB 21-2:181 0 AMB 21-1:181 5.50 (# 181:21 Double Ambig) &rst ixpk= 181, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 475, 476, 477, 407, 408, 409, igr2= 957, 958, 959, &end # # 0 AMB 21-2:182 98 TYR HB2 5.50 (# 182:21 Single Ambig) &rst ixpk= 182, nxpk= 21, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 496, 89, 88, 139, 516, 239, 258, 122, 411, &end # # 0 AMB 21-2:183 98 TYR HB2 5.50 (# 183:21 Single Ambig) &rst ixpk= 183, nxpk= 21, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 264, 265, 266, 498, 499, 500, &end # # 0 AMB 21-2:184 0 AMB 21-1:184 4.50 (# 184:21 Double Ambig) &rst ixpk= 184, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29, igr1= 479, 480, 481, 128, 129, 130, 549, 550, 551, igr2=1406,1407,1408, &end # # 0 AMB 21-2:185 0 AMB 21-1:185 5.50 (# 185:21 Double Ambig) &rst ixpk= 185, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 505, 506, 507, 258, 122, 503, igr2=1406,1407,1408, &end # # 0 AMB 21-2:186 94 ARG HD2 5.50 (# 186:21 Single Ambig) &rst ixpk= 186, nxpk= 21, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, igr1= 245, 246, 247, 365, 366, 367, 258, 122, 569, 570, 571, &end # # 0 AMB 21-2:187 94 ARG HD2 5.50 (# 187:21 Single Ambig) &rst ixpk= 187, nxpk= 21, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 260, 261, 262, 498, 499, 500, &end # # 0 AMB 21-2:188 0 AMB 21-1:188 5.50 (# 188:21 Double Ambig) &rst ixpk= 188, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, igr2= 731,1526, &end # # 0 AMB 21-2:191 64 LEU HB2 5.50 (# 191:21 Single Ambig) &rst ixpk= 191, nxpk= 21, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:193 0 AMB 21-1:193 5.50 (# 193:21 Double Ambig) &rst ixpk= 193, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 591, 422, 468, igr2=1347,1348,1349, &end # # 0 AMB 21-2:194 0 AMB 21-1:194 4.50 (# 194:21 Double Ambig) &rst ixpk= 194, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29, igr1= 470, 255, 138, 516, 258, 530, 122, 236, 356, igr2=1347,1348,1349, &end # # 0 AMB 21-2:195 0 AMB 21-1:195 5.00 (# 195:21 Double Ambig) &rst ixpk= 195, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31, igr1= 471, 645, 644, 516, 545, 258, 122, 440, 357, 189, igr2=1347,1348,1349, &end # # 0 AMB 21-2:196 0 AMB 21-1:196 5.50 (# 196:21 Double Ambig) &rst ixpk= 196, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09, igr1= 505, 506, 507, 361, 362, 363, 245, 246, 247, 365, 366, 367, 258, 122, 569, 570, 571, igr2=1347,1348,1349, &end # # 0 AMB 21-2:197 0 AMB 21-1:197 4.50 (# 197:21 Double Ambig) &rst ixpk= 197, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407, 408, 409, igr2=1347,1348,1349, &end # # 0 AMB 21-2:198 0 AMB 21-1:198 6.50 (# 198:21 Double Ambig #weaksincwiggle??spindiff??5.5to6.5on1009) &rst ixpk= 198, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02, igr1= 264, 265, 266, 498, 499, 500, igr2=1347,1348,1349, &end # # 0 AMB 21-2:199 91 ILE HB 5.50 (# 199:21 Single Ambig) &rst ixpk= 199, nxpk= 21, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191, 192, 193, &end # # 0 AMB 21-2:201 0 AMB 21-1:201 5.50 (# 201:21 Double Ambig) &rst ixpk= 201, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 245, 246, 247, 505, 506, 507, 258, 122, igr2=1504,1456, &end # # 0 AMB 21-2:202 0 AMB 21-1:202 5.50 (# 202:21 Double Ambig) &rst ixpk= 202, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 264, 265, 266, 498, 499, 500, igr2=1504,1456, &end # # 0 AMB 21-2:203 65 LYS HG2 5.50 (# 203:21 Single Ambig) &rst ixpk= 203, nxpk= 21, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:204 65 LYS HB3 5.50 (# 204:21 Single Ambig) &rst ixpk= 204, nxpk= 21, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416, 122, 553, 554, 555, 569, 570, 571, 191, 192, 193, &end # # 0 AMB 21-2:205 0 AMB 21-1:205 4.50 (# 205:21 Double Ambig) &rst ixpk= 205, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 169, 516, 34, 33, 173, 379, 378, 532, 621, 620, igr2= 917, 918, 919, &end # # 0 AMB 21-2:206 0 AMB 21-1:206 4.00 (# 206:21 Double Ambig) &rst ixpk= 206, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191, 192, 193, igr2= 917, 918, 919, &end # # 0 AMB 21-2:207 0 AMB 21-1:207 4.50 (# 207:21 Double Ambig) &rst ixpk= 207, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 143, 144, 145, 147, 148, 149, 124, 125, 126, 245, 246, 247, 241, 242, 243, igr2= 978, 979, 980, &end # # 0 AMB 21-2:208 0 AMB 21-1:208 4.50 (# 208:21 Double Ambig) &rst ixpk= 208, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 260, 261, 262, igr2= 974, 975, 976, &end # # 0 AMB 21-2:209 93 GLN HE21 5.00 (# 209:22 Single Ambig) &rst ixpk= 209, nxpk= 22, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 224, 225, 226, 301, 302, 303, &end # # 0 AMB 21-2:210 93 GLN HE22 5.00 (# 210:22 Single Ambig) &rst ixpk= 210, nxpk= 22, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 224, 225, 226, 301, 302, 303, &end # # 0 AMB 21-2:211 0 AMB 21-1:211 4.50 (# 211:21 Double Ambig-manualaddSJD) &rst ixpk= 211, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 299, 335, igr2=1035,1036, &end # # 0 AMB 21-2:212 0 AMB 21-1:212 4.0 (# 212:21 DoubleAMB-manualaddSJD) &rst ixpk= 212, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 124, 125, 126, 143, 144, 145, igr2= 789, 790, 791, &end # # 0 AMB 21-2:213 0 AMB 21-1:213 4.0 (# 213:21 DoubleAMB-manualaddSJDreleased3.5to4.0on0925) &rst ixpk= 213, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 128, 129, 130, 147, 148, 149, igr2= 789, 790, 791, &end # # 0 AMB 21-2:216 94 ARG HE 3.5 (# 216:21 Singleambigmanualaddsjdcnnoe) &rst ixpk= 216, nxpk= 21, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1406,1407,1408, 361, 362, 363, 365, 366, 367, &end # # 98 TYR HA 98 TYR HD1 4.00 (# 0:20 Unique 2.03, 2.03 A) &rst ixpk= 0, nxpk= 20, iat=1523,1529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:2 0 AMB 20-1:2 5.50 (# 2:20 Double Ambig) &rst ixpk= 2, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1453,1544, igr2=1538,1529, &end # # 97 LYS HA 0 AMB 20-1:3 6.00 (# 3:20 Single Ambig #released0705) &rst ixpk= 3, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1529,1538, &end # # 95 THR HA 98 TYR HD2 4.00 (# 4:20 Unique 2.49, 2.49 A) &rst ixpk= 4, nxpk= 20, iat=1477,1538, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:5 0 AMB 20-1:5 5.00 (# 5:20 Double Ambig) &rst ixpk= 5, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 521, 494, igr2=1538,1529, &end # # 98 TYR HB2 0 AMB 20-1:6 4.00 (# 6:20 Single Ambig) &rst ixpk= 6, nxpk= 20, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1538,1529, &end # # 0 AMB 20-2:8 98 TYR HD1 6.00 (# 8:20 Single Ambig) &rst ixpk= 8, nxpk= 20, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1590,1589, &end # # 0 AMB 20-2:9 0 AMB 20-1:9 5.00 (# 9:20 Double Ambig) &rst ixpk= 9, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 516,1504,1587, 563,1546,1631, igr2=1538,1529, &end # # 0 AMB 20-2:10 0 AMB 20-1:10 5.00 (# 10:20 Double Ambig) &rst ixpk= 10, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1= 516,1455,1504,1586, 518, igr2=1538,1529, &end # # 0 AMB 20-2:11 0 AMB 20-1:11 6.00 (# 11:20 Double Ambig) &rst ixpk= 11, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 516,1504, igr2=1538,1529, &end # # 0 AMB 20-2:12 0 AMB 20-1:12 4.00 (# 12:20 Double Ambig) &rst ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 496, 516,1504,1509, igr2=1538,1529, &end # # 0 AMB 20-2:13 0 AMB 20-1:13 6.00 (# 13:20 Double Ambig) &rst ixpk= 13, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 516,1504,1422, igr2=1538,1529, &end # # 0 AMB 20-2:14 0 AMB 20-1:14 5.00 (# 14:20 Double Ambig) &rst ixpk= 14, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 516,1504,1422, igr2=1538,1529, &end # # 0 AMB 20-2:15 0 AMB 20-1:15 6.00 (# 15:20 Double Ambig) &rst ixpk= 15, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1=1481, 502, 516,1506,1482,1483, igr2=1538,1529, &end # # 0 AMB 20-2:16 0 AMB 20-1:16 5.00 (# 16:20 Double Ambig) &rst ixpk= 16, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1=1553,1552,1554,1549,1550,1548, igr2=1538,1529, &end # # 0 AMB 20-2:18 98 TYR HD2 4.00 (# 18:20 Single Ambig) &rst ixpk= 18, nxpk= 20, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 571, 570, 569, &end # # 0 AMB 20-2:19 98 TYR HD2 4.00 (# 19:20 Single Ambig) &rst ixpk= 19, nxpk= 20, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 500, 498, &end # # 97 LYS HG3 0 AMB 20-1:20 6.00 (# 20:20 Single Ambig) &rst ixpk= 20, nxpk= 20, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1529,1538, &end # # 0 AMB 20-2:21 0 AMB 20-1:21 6.00 (# 21:20 Double Ambig) &rst ixpk= 21, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 272, 422, igr2=1381,1389, &end # # 0 AMB 20-2:22 0 AMB 20-1:22 6.00 (# 22:20 Double Ambig) &rst ixpk= 22, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1338, 253,1453, igr2=1389,1381, &end # # 0 AMB 20-2:23 90 PHE HD1 5.00 (# 23:20 Single Ambig) &rst ixpk= 23, nxpk= 20, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1375, 275, &end # # 14 HIS HB2 0 AMB 20-1:24 6.00 (# 24:20 Single Ambig) &rst ixpk= 24, nxpk= 20, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1381,1389, &end # # 0 AMB 20-2:25 0 AMB 20-1:25 5.00 (# 25:20 Double Ambig) &rst ixpk= 25, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 206,1378, igr2=1381,1389, &end # # 0 AMB 20-2:27 0 AMB 20-1:27 6.00 (# 27:20 Double Ambig) &rst ixpk= 27, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81, igr1=1347, 258,1455,1344,1348,1340,1349, igr2=1389,1381, &end # # 0 AMB 20-2:28 0 AMB 20-1:28 6.00 (# 28:20 Double Ambig) &rst ixpk= 28, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31, igr1= 258, 255,1344,1341,1224, igr2=1381,1389, &end # # 0 AMB 20-2:29 0 AMB 20-1:29 5.00 (# 29:20 Double Ambig) &rst ixpk= 29, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 258,1344,1341, igr2=1381,1389, &end # # 0 AMB 20-2:30 0 AMB 20-1:30 6.00 (# 30:20 Double Ambig) &rst ixpk= 30, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 258,1341, igr2=1381,1389, &end # # 0 AMB 20-2:31 0 AMB 20-1:31 6.00 (# 31:20 Double Ambig) &rst ixpk= 31, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1458, 258, igr2=1381,1389, &end # # 0 AMB 20-2:32 0 AMB 20-1:32 6.00 (# 32:20 Double Ambig) &rst ixpk= 32, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 258,1404, igr2=1381,1389, &end # # 0 AMB 20-2:33 0 AMB 20-1:33 5.00 (# 33:20 Double Ambig) &rst ixpk= 33, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1= 258, 507, 506,1158,1327, igr2=1381,1389, &end # # 0 AMB 20-2:34 0 AMB 20-1:34 4.00 (# 34:20 Double Ambig) &rst ixpk= 34, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 258,1330,1178, 980,1332, 976,1331,1179, 414, igr2=1381,1389, &end # # 0 AMB 20-2:35 0 AMB 20-1:35 4.00 (# 35:20 Double Ambig) &rst ixpk= 35, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1= 477, 476, 481, 479, 475, 409, 407, igr2=1389,1381, &end # # 0 AMB 20-2:36 0 AMB 20-1:36 5.00 (# 36:20 Double Ambig) &rst ixpk= 36, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 266, 265, 264, igr2=1389,1381, &end # # 0 AMB 20-2:37 90 PHE HD2 6.00 (# 37:20 Single Ambig) &rst ixpk= 37, nxpk= 20, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1230,1231, &end # # 0 AMB 20-2:38 90 PHE HD2 6.00 (# 38:20 Single Ambig) &rst ixpk= 38, nxpk= 20, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1233,1235,1234, &end # # 0 AMB 20-2:39 0 AMB 20-1:39 6.00 (# 39:20 Double Ambig) &rst ixpk= 39, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 422, 468, igr2=1383,1387, &end # # 0 AMB 20-2:40 0 AMB 20-1:40 6.00 (# 40:20 Double Ambig) &rst ixpk= 40, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 253,1453,1338,1120, igr2=1383,1387, &end # # 0 AMB 20-2:41 0 AMB 20-1:41 6.00 (# 41:20 Double Ambig) &rst ixpk= 41, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1375, 275,1222, igr2=1383,1387, &end # # 0 AMB 20-2:42 0 AMB 20-1:42 6.00 (# 42:20 Double Ambig) &rst ixpk= 42, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 206,1378, igr2=1383,1387, &end # # 0 AMB 20-2:43 0 AMB 20-1:43 6.00 (# 43:20 Double Ambig) &rst ixpk= 43, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1461,1344, igr2=1383,1387, &end # # 0 AMB 20-2:44 0 AMB 20-1:44 6.00 (# 44:20 Double Ambig) &rst ixpk= 44, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1377,1344, igr2=1387,1383, &end # # 0 AMB 20-2:45 0 AMB 20-1:45 6.00 (# 45:20 Double Ambig) &rst ixpk= 45, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1462,1343, igr2=1383,1387, &end # # 0 AMB 20-2:46 0 AMB 20-1:46 6.00 (# 46:20 Double Ambig) &rst ixpk= 46, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 405,1156,1344, igr2=1387,1383, &end # # 0 AMB 20-2:47 0 AMB 20-1:47 6.00 (# 47:20 Double Ambig) &rst ixpk= 47, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81, igr1=1347, 258,1455,1348,1349,1344,1403, igr2=1387,1383, &end # # 0 AMB 20-2:48 0 AMB 20-1:48 6.00 (# 48:20 Double Ambig) &rst ixpk= 48, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81, igr1= 258,1224,1172,1344, 255, 356,1175, igr2=1383,1387, &end # # 0 AMB 20-2:49 0 AMB 20-1:49 5.00 (# 49:20 Double Ambig) &rst ixpk= 49, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1= 258,1456,1227,1344,1175, igr2=1383,1387, &end # # 0 AMB 20-2:50 0 AMB 20-1:50 5.00 (# 50:20 Double Ambig) &rst ixpk= 50, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 258, 359,1456,1344, 411,1175, igr2=1383,1387, &end # # 0 AMB 20-2:51 0 AMB 20-1:51 6.00 (# 51:20 Double Ambig) &rst ixpk= 51, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1458, 258, igr2=1383,1387, &end # # 0 AMB 20-2:52 0 AMB 20-1:52 6.00 (# 52:20 Double Ambig) &rst ixpk= 52, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1459, 258, igr2=1383,1387, &end # # 0 AMB 20-2:53 0 AMB 20-1:53 6.00 (# 53:20 Double Ambig) &rst ixpk= 53, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 258, 357,1175, igr2=1383,1387, &end # # 0 AMB 20-2:54 0 AMB 20-1:54 5.00 (# 54:20 Double Ambig) &rst ixpk= 54, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, igr1= 258,1158,1160, 506,1175, 507,1159, igr2=1383,1387, &end # # 0 AMB 20-2:55 0 AMB 20-1:55 4.00 (# 55:20 Double Ambig) &rst ixpk= 55, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 258, 414, 976,1178, 415, 416,1179,1175, 975, 367, 1408, 366, 974,1177, 365, igr2=1383,1387, &end # # 0 AMB 20-2:56 0 AMB 20-1:56 4.00 (# 56:20 Double Ambig) &rst ixpk= 56, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 409, 481, 407, 477, 408, 479, igr2=1387,1383, &end # # 0 AMB 20-2:57 0 AMB 20-1:57 4.00 (# 57:20 Double Ambig) &rst ixpk= 57, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 260, 262, igr2=1383,1387, &end # # 0 AMB 20-2:58 90 PHE HE2 5.00 (# 58:20 Single Ambig) &rst ixpk= 58, nxpk= 20, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1230,1231,1229, &end # # 25 LEU HA 90 PHE HZ 6.00 (# 60:20 Unique 3.73, 3.73 A) &rst ixpk= 60, nxpk= 20, iat= 354,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:61 90 PHE HZ 6.00 (# 61:20 Single Ambig) &rst ixpk= 61, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 422, 272, &end # # 0 AMB 20-2:62 90 PHE HZ 6.00 (# 62:20 Single Ambig) &rst ixpk= 62, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 253, 348,1338,1453,1120, &end # # 28 ILE HA 90 PHE HZ 6.00 (# 64:20 Unique 4.78, 4.78 A) &rst ixpk= 64, nxpk= 20, iat= 403,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:65 90 PHE HZ 6.00 (# 65:20 Single Ambig) &rst ixpk= 65, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1461,1344, &end # # 0 AMB 20-2:66 90 PHE HZ 6.00 (# 66:20 Single Ambig) &rst ixpk= 66, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1462,1343, &end # # 28 ILE HB 90 PHE HZ 6.00 (# 67:20 Unique 2.54, 2.54 A) &rst ixpk= 67, nxpk= 20, iat= 405,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:68 90 PHE HZ 6.00 (# 68:20 Single Ambig) &rst ixpk= 68, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1= 258,1347,1455,1403,1349,1348,1344, &end # # 0 AMB 20-2:69 90 PHE HZ 5.00 (# 69:20 Single Ambig) &rst ixpk= 69, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 258, 411, 359, &end # # 0 AMB 20-2:70 90 PHE HZ 5.00 (# 70:20 Single Ambig) &rst ixpk= 70, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 258,1458, &end # # 0 AMB 20-2:71 90 PHE HZ 6.00 (# 71:20 Single Ambig) &rst ixpk= 71, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 258,1459, &end # # 17 LEU HG 90 PHE HZ 6.00 (# 72:20 Unique 3.93, 3.93 A) &rst ixpk= 72, nxpk= 20, iat= 258,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:73 90 PHE HZ 6.00 (# 73:20 Single Ambig) &rst ixpk= 73, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 258, 255,1227,1172, 356,1224, &end # # 0 AMB 20-2:74 90 PHE HZ 6.00 (# 74:20 Single Ambig) &rst ixpk= 74, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 258, 412, &end # # 0 AMB 20-2:75 90 PHE HZ 4.00 (# 75:20 Single Ambig) &rst ixpk= 75, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 258, 414, 976, 415, 975, 416, 974, &end # # 0 AMB 20-2:76 90 PHE HZ 4.00 (# 76:20 Single Ambig) &rst ixpk= 76, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 407, 409, 477, 408, &end # # 0 AMB 20-2:77 90 PHE HZ 5.00 (# 77:20 Single Ambig) &rst ixpk= 77, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1164, 266,1163, 264, 265,1162, &end # # 0 AMB 20-2:80 90 PHE HZ 5.00 (# 80:20 Single Ambig) &rst ixpk= 80, nxpk= 20, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 258,1160,1158, 506,1159, &end # # 0 AMB 20-2:101 83 ASN HA 6.00 (# 101:20 Single Ambig) &rst ixpk= 101, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1263, 767, &end # # 0 AMB 20-2:102 83 ASN HA 6.00 (# 102:20 Single Ambig) &rst ixpk= 102, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1296,1266, &end # # 0 AMB 20-2:103 83 ASN HA 6.00 (# 103:20 Single Ambig) &rst ixpk= 103, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1266,1302,1319, &end # # 84 PRO HD2 83 ASN HA 4.00 (# 104:20 Unique 2.34, 2.34 A) &rst ixpk= 104, nxpk= 20, iat=1287,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 84 PRO HD3 83 ASN HA 4.00 (# 105:20 Unique 2.46, 2.46 A) &rst ixpk= 105, nxpk= 20, iat=1288,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 83 ASN HB3 83 ASN HA 4.00 (# 106:20 Unique 3.02, 3.02 A) &rst ixpk= 106, nxpk= 20, iat=1277,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 83 ASN HB2 83 ASN HA 4.00 (# 107:20 Unique 2.39, 2.39 A) &rst ixpk= 107, nxpk= 20, iat=1276,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:108 83 ASN HA 4.00 (# 108:20 Single Ambig) &rst ixpk= 108, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1290,1291,1293, &end # # 0 AMB 20-2:109 83 ASN HA 6.00 (# 109:20 Single Ambig) &rst ixpk= 109, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1290,1291, &end # # 0 AMB 20-2:110 83 ASN HA 5.00 (# 110:20 Single Ambig) &rst ixpk= 110, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1290,1291, &end # # 0 AMB 20-2:111 83 ASN HA 4.00 (# 111:20 Single Ambig) &rst ixpk= 111, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1290,1291,1294, &end # # 0 AMB 20-2:112 83 ASN HA 6.00 (# 112:20 Single Ambig) &rst ixpk= 112, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1290,1291, 71, &end # # 0 AMB 20-2:113 83 ASN HA 6.00 (# 113:20 Single Ambig) &rst ixpk= 113, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1290,1291,1322, &end # # 52 ILE HB 83 ASN HA 5.00 (# 114:20 Unique 2.47, 2.47 A) &rst ixpk= 114, nxpk= 20, iat= 780,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:115 83 ASN HA 6.00 (# 115:20 Single Ambig) &rst ixpk= 115, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1290,1291, &end # # 0 AMB 20-2:116 83 ASN HA 6.00 (# 116:20 Single Ambig) &rst ixpk= 116, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1290,1291, 836, 835, 837, &end # # 0 AMB 20-2:117 83 ASN HA 6.00 (# 117:20 Single Ambig) &rst ixpk= 117, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 789, 791, 790, &end # # 0 AMB 20-2:118 83 ASN HA 6.00 (# 118:20 Single Ambig) &rst ixpk= 118, nxpk= 20, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 784, 782, &end # # 69 SER HB3 69 SER HA 3.50 (# 121:20 Unique 2.54, 2.54 A) &rst ixpk= 121, nxpk= 20, iat=1047,1044, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 69 SER HB2 69 SER HA 3.00 (# 122:20 Unique 2.42, 2.42 A) &rst ixpk= 122, nxpk= 20, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 70 PRO HD2 69 SER HA 4.00 (# 123:20 Unique 3.10, 3.10 A) &rst ixpk= 123, nxpk= 20, iat=1054,1044, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:124 69 SER HA 6.00 (# 124:20 Single Ambig) &rst ixpk= 124, nxpk= 20, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1075,1074,1092, &end # # 0 AMB 20-2:125 69 SER HA 5.00 (# 125:20 Single Ambig) &rst ixpk= 125, nxpk= 20, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1060,1071,1075,1072,1074, &end # # 0 AMB 20-2:126 69 SER HA 5.00 (# 126:20 Single Ambig) &rst ixpk= 126, nxpk= 20, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1021,1057,1071,1075,1022,1072, &end # # 0 AMB 20-2:127 69 SER HA 5.50 (# 127:20 Single Ambig #from5.0to5.5on0927) &rst ixpk= 127, nxpk= 20, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1058,1071,1075,1072, &end # # 0 AMB 20-2:128 69 SER HA 5.00 (# 128:20 Single Ambig) &rst ixpk= 128, nxpk= 20, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1071,1075,1061,1072,1074, &end # # 0 AMB 20-2:129 53 SER HA 5.00 (# 129:20 Single Ambig) &rst ixpk= 129, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1266, 816, 833, 822, &end # # 0 AMB 20-2:130 53 SER HA 3.00 (# 130:20 Single Ambig) &rst ixpk= 130, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 799, 807,1266, &end # # 0 AMB 20-2:131 53 SER HA 3.00 (# 131:20 Single Ambig) &rst ixpk= 131, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr1= 800, 808, &end # # 0 AMB 20-2:133 53 SER HA 5.00 (# 133:20 Single Ambig) &rst ixpk= 133, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 811, 813, 810, 74, &end # # 0 AMB 20-2:134 53 SER HA 5.00 (# 134:20 Single Ambig) &rst ixpk= 134, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 811, 810, 894, &end # # 0 AMB 20-2:135 53 SER HA 4.50 (# 135:20 Single Ambig#releasedfrom4.0on0619) &rst ixpk= 135, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 811, 810, 814, 122, 718, &end # # 0 AMB 20-2:136 53 SER HA 6.00 (# 136:20 Single Ambig) &rst ixpk= 136, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 780, 811,1321, 810, &end # # 0 AMB 20-2:137 53 SER HA 6.00 (# 137:20 Single Ambig) &rst ixpk= 137, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 811, 189, 810, 848, 122, &end # # 0 AMB 20-2:138 53 SER HA 6.00 (# 138:20 Single Ambig) &rst ixpk= 138, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 836, 837, 835, &end # # 0 AMB 20-2:139 53 SER HA 5.00 (# 139:20 Single Ambig) &rst ixpk= 139, nxpk= 20, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96, igr1= 782, 191, 193, 125, 124, 784, 783, 192, 854, 126, 1208, &end # # 0 AMB 20-2:140 49 ASN HA 6.00 (# 140:20 Single Ambig) &rst ixpk= 140, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 770, 715, 769, &end # # 0 AMB 20-2:141 49 ASN HA 6.00 (# 141:20 Single Ambig) &rst ixpk= 141, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 751, 715, 752, &end # # 49 ASN HB2 49 ASN HA 4.00 (# 142:20 Unique 2.55, 2.55 A) &rst ixpk= 142, nxpk= 20, iat= 731, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 49 ASN HB3 49 ASN HA 5.00 (# 143:20 Unique 2.32, 2.32 A) &rst ixpk= 143, nxpk= 20, iat= 732, 729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:144 49 ASN HA 6.00 (# 144:20 Single Ambig) &rst ixpk= 144, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1= 721, 745, 746, 718, 717, 749, 810, &end # # 0 AMB 20-2:146 49 ASN HA 6.00 (# 146:20 Single Ambig) &rst ixpk= 146, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 745, 746, 749, 810, 748, &end # # 0 AMB 20-2:147 49 ASN HA 6.00 (# 147:20 Single Ambig) &rst ixpk= 147, nxpk= 20, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 790, 789, 791, &end # # 0 AMB 20-2:160 102 GLN HA 6.00 (# 160:20 Single Ambig) &rst ixpk= 160, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1544,1615, &end # # 103 PRO HD2 102 GLN HA 3.50 (# 161:20 Unique 2.70, 2.70 A) &rst ixpk= 161, nxpk= 20, iat=1600,1584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 103 PRO HD3 102 GLN HA 3.50 (# 162:20 Unique 3.61, 3.61 A) &rst ixpk= 162, nxpk= 20, iat=1601,1584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:163 102 GLN HA 6.00 (# 163:20 Single Ambig) &rst ixpk= 163, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1572,1606,1526, &end # # 0 AMB 20-2:164 102 GLN HA 6.00 (# 164:20 Single Ambig) &rst ixpk= 164, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1573,1606, &end # # 103 PRO HB2 102 GLN HA 6.00 (# 165:20 Unique 6.02, 6.02 A) &rst ixpk= 165, nxpk= 20, iat=1606,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:166 102 GLN HA 4.00 (# 166:20 Single Ambig) &rst ixpk= 166, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1589,1590,1604, &end # # 0 AMB 20-2:167 102 GLN HA 6.00 (# 167:20 Single Ambig) &rst ixpk= 167, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1604,1606, &end # # 0 AMB 20-2:168 102 GLN HA 4.00 (# 168:20 Single Ambig) &rst ixpk= 168, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1587,1631,1633, &end # # 102 GLN HB2 102 GLN HA 4.00 (# 169:20 Unique 2.43, 2.43 A) &rst ixpk= 169, nxpk= 20, iat=1586,1584, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:170 102 GLN HA 6.00 (# 170:20 Single Ambig) &rst ixpk= 170, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1604,1606,1563,1564, &end # # 0 AMB 20-2:172 51 SER HA 5.00 (# 172:20 Single Ambig) &rst ixpk= 172, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 778, 807, &end # # 0 AMB 20-2:173 51 SER HA 3.00 (# 173:20 Single Ambig) &rst ixpk= 173, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr1= 769, 770, &end # # 0 AMB 20-2:174 51 SER HA 6.00 (# 174:20 Single Ambig) &rst ixpk= 174, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 810, 811, 720, &end # # 0 AMB 20-2:175 51 SER HA 6.00 (# 175:20 Single Ambig) &rst ixpk= 175, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 34, 33, 810, 811, &end # # 0 AMB 20-2:176 51 SER HA 6.00 (# 176:20 Single Ambig) &rst ixpk= 176, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 73, 30, 746, &end # # 0 AMB 20-2:177 51 SER HA 6.00 (# 177:20 Single Ambig) &rst ixpk= 177, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 746, 810, 811, 745, &end # # 0 AMB 20-2:178 51 SER HA 6.00 (# 178:20 Single Ambig) &rst ixpk= 178, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 749, 746, 810, 8, 811, 745, 748, 721, &end # # 0 AMB 20-2:179 51 SER HA 6.00 (# 179:20 Single Ambig) &rst ixpk= 179, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1= 749, 746, 71, 810, 811, 745, 748, &end # # 0 AMB 20-2:180 51 SER HA 5.00 (# 180:20 Single Ambig) &rst ixpk= 180, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1= 780, 749, 746, 810, 811, 745, 748, &end # # 0 AMB 20-2:181 51 SER HA 5.00 (# 181:20 Single Ambig) &rst ixpk= 181, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 749, 746, 810, 811, 745, 748, &end # # 0 AMB 20-2:183 51 SER HA 6.00 (# 183:20 Single Ambig) &rst ixpk= 183, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 124, 126, 783, 125, 782, 784, &end # # 0 AMB 20-2:184 51 SER HA 6.00 (# 184:20 Single Ambig) &rst ixpk= 184, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1= 749, 746, 810, 31, 811, 745, 748, 721, 9, &end # # 0 AMB 20-2:185 51 SER HA 5.00 (# 185:20 Single Ambig) &rst ixpk= 185, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 786, 749, 746, 810, 811, &end # # 0 AMB 20-2:186 51 SER HA 5.00 (# 186:20 Single Ambig) &rst ixpk= 186, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 790, 791, 789, &end # # 104 GLY HA2 105 MET HA 6.00 (# 187:20 Unique 4.54, 4.54 A) &rst ixpk= 187, nxpk= 20, iat=1615,1622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 103 PRO HB2 105 MET HA 6.00 (# 188:20 Unique 7.69, 7.69 A) &rst ixpk= 188, nxpk= 20, iat=1606,1622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 103 PRO HB2 105 MET HA 6.00 (# 189:20 Unique 7.69, 7.69 A released5.0to5.5on1009to6.0on1015) &rst ixpk= 189, nxpk= 20, iat=1606,1622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 105 MET HB2 105 MET HA 4.00 (# 190:20 Unique 2.43, 2.43 A) &rst ixpk= 190, nxpk= 20, iat=1624,1622, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 105 MET HB3 105 MET HA 5.00 (# 191:20 Unique 2.36, 2.36 A) &rst ixpk= 191, nxpk= 20, iat=1625,1622, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 83 ASN HA 82 SER HA 6.00 (# 192:20 Unique 4.62, 4.62 A) &rst ixpk= 192, nxpk= 20, iat=1274,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 82 SER HB3 82 SER HA 5.00 (# 193:20 Unique 2.36, 2.36 A) &rst ixpk= 193, nxpk= 20, iat=1266,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 83 ASN HB3 82 SER HA 6.50 (# 194:20 Unique 5.76, 5.76 A #spindif?6.0to6.5on1012) &rst ixpk= 194, nxpk= 20, iat=1277,1263, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 83 ASN HB2 82 SER HA 6.00 (# 195:20 Unique 5.70, 5.70 A) &rst ixpk= 195, nxpk= 20, iat=1276,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 84 PRO HG3 82 SER HA 6.00 (# 196:20 Unique 7.81, 7.81 A) &rst ixpk= 196, nxpk= 20, iat=1291,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 84 PRO HG3 82 SER HA 6.00 (# 197:20 Unique 7.81, 7.81 A) &rst ixpk= 197, nxpk= 20, iat=1291,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:198 82 SER HA 5.00 (# 198:20 Single Ambig) &rst ixpk= 198, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1294,1291, &end # # 0 AMB 20-2:199 82 SER HA 6.00 (# 199:20 Single Ambig) &rst ixpk= 199, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1243,1291,1211, &end # # 0 AMB 20-2:200 82 SER HA 5.00 (# 200:20 Single Ambig) &rst ixpk= 200, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1244,1291,1211, &end # # 0 AMB 20-2:201 82 SER HA 6.00 (# 201:20 Single Ambig) &rst ixpk= 201, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1249,1291,1211, &end # # 0 AMB 20-2:202 82 SER HA 6.00 (# 202:20 Single Ambig) &rst ixpk= 202, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 835, 836, 837,1250, &end # # 0 AMB 20-2:203 82 SER HA 6.00 (# 203:20 Single Ambig) &rst ixpk= 203, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 782, 784, 783, &end # # 0 AMB 20-2:205 59 ASP HA 5.00 (# 205:20 Single Ambig) &rst ixpk= 205, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 862, 953, 929, 843, &end # # 0 AMB 20-2:206 59 ASP HA 5.00 (# 206:20 Single Ambig) &rst ixpk= 206, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 937, 938, &end # # 0 AMB 20-2:207 59 ASP HA 4.00 (# 207:20 Single Ambig) &rst ixpk= 207, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 881, 938, &end # # 59 ASP HB3 59 ASP HA 3.50 (# 208:20 Unique 2.68, 2.68 A) &rst ixpk= 208, nxpk= 20, iat= 882, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:210 59 ASP HA 6.00 (# 210:20 Single Ambig) &rst ixpk= 210, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 864, 894, &end # # 0 AMB 20-2:212 59 ASP HA 4.00 (# 212:20 Single Ambig) &rst ixpk= 212, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 934, 935, &end # # 0 AMB 20-2:213 59 ASP HA 5.00 (# 213:20 Single Ambig) &rst ixpk= 213, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 934, 935, &end # # 0 AMB 20-2:214 59 ASP HA 5.00 (# 214:20 Single Ambig) &rst ixpk= 214, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 934, 935, &end # # 0 AMB 20-2:215 59 ASP HA 6.00 (# 215:20 Single Ambig) &rst ixpk= 215, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 934, 935, &end # # 0 AMB 20-2:216 59 ASP HA 6.00 (# 216:20 Single Ambig) &rst ixpk= 216, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1211, 247, 896, &end # # 0 AMB 20-2:217 59 ASP HA 5.00 (# 217:20 Single Ambig) &rst ixpk= 217, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1209,1211,1208,1207, 192, &end # # 0 AMB 20-2:218 59 ASP HA 5.00 (# 218:20 Single Ambig) &rst ixpk= 218, nxpk= 20, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1215,1216,1211,1214, &end # # 99 VAL HA 103 PRO HA 5.00 (# 241:20 Unique 2.84, 2.84 A) &rst ixpk= 241, nxpk= 20, iat=1544,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 103 PRO HD2 103 PRO HA 5.00 (# 242:20 Unique 4.02, 4.02 A) &rst ixpk= 242, nxpk= 20, iat=1600,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 103 PRO HD3 103 PRO HA 6.00 (# 243:20 Unique 3.41, 3.41 A) &rst ixpk= 243, nxpk= 20, iat=1601,1609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:244 103 PRO HA 6.00 (# 244:20 Single Ambig) &rst ixpk= 244, nxpk= 20, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1606,1604,1589, &end # # 0 AMB 20-2:245 103 PRO HA 3.50 (# 245:20 Single Ambig) &rst ixpk= 245, nxpk= 20, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1606,1604, &end # # 0 AMB 20-2:246 103 PRO HA 4.00 (# 246:20 Single Ambig) &rst ixpk= 246, nxpk= 20, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1606,1603,1604, &end # # 0 AMB 20-2:247 103 PRO HA 4.00 (# 247:20 Single Ambig) &rst ixpk= 247, nxpk= 20, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1607,1606, &end # # 0 AMB 20-2:248 78 ASN HA 5.00 (# 248:20 Single Ambig) &rst ixpk= 248, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1137,1266, &end # # 0 AMB 20-2:249 78 ASN HA 6.00 (# 249:20 Single Ambig) &rst ixpk= 249, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1120,1266, &end # # 0 AMB 20-2:250 78 ASN HA 6.00 (# 250:20 Single Ambig) &rst ixpk= 250, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1241,1266, &end # # 0 AMB 20-2:251 78 ASN HA 5.00 (# 251:20 Single Ambig) &rst ixpk= 251, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1203,1266, &end # # 78 ASN HB3 78 ASN HA 3.50 (# 252:20 Unique 3.00, 3.00 A) &rst ixpk= 252, nxpk= 20, iat=1192,1189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 ASN HB2 78 ASN HA 3.00 (# 253:20 Unique 2.57, 2.57 A) &rst ixpk= 253, nxpk= 20, iat=1191,1189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 0 AMB 20-2:254 78 ASN HA 4.00 (# 254:20 Single Ambig released3.5to4.0on1009) &rst ixpk= 254, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1244,1122,1224,1175,1205,1123,1125, &end # # 0 AMB 20-2:255 78 ASN HA 4.00 (# 255:20 Single Ambig) &rst ixpk= 255, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1249,1122,1175,1123, &end # # 81 LYS HD3 78 ASN HA 5.00 (# 256:20 Unique 2.39, 2.39 A) &rst ixpk= 256, nxpk= 20, iat=1250,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:257 78 ASN HA 5.00 (# 257:20 Single Ambig) &rst ixpk= 257, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1211,1181,1182,1183, &end # # 0 AMB 20-2:258 78 ASN HA 6.00 (# 258:20 Single Ambig) &rst ixpk= 258, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1=1211, 414,1207, 416,1208, 415,1209, &end # # 0 AMB 20-2:260 84 PRO HA 5.00 (# 260:20 Single Ambig) &rst ixpk= 260, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1287,1241, &end # # 84 PRO HD3 84 PRO HA 5.00 (# 261:20 Unique 3.48, 3.48 A) &rst ixpk= 261, nxpk= 20, iat=1288,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:262 84 PRO HA 5.00 (# 262:20 Single Ambig) &rst ixpk= 262, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1290,1341,1344,1276, &end # # 0 AMB 20-2:263 84 PRO HA 3.50 (# 263:20 Single Ambig) &rst ixpk= 263, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1293,1290,1291,1341, &end # # 0 AMB 20-2:264 84 PRO HA 4.00 (# 264:20 Single Ambig) &rst ixpk= 264, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1290,1291,1341, &end # # 0 AMB 20-2:265 84 PRO HA 3.00 (# 265:20 Single Ambig) &rst ixpk= 265, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=1290,1291,1341, &end # # 0 AMB 20-2:266 84 PRO HA 3.50 (# 266:20 Single Ambig) &rst ixpk= 266, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1290,1291,1341, &end # # 0 AMB 20-2:267 84 PRO HA 5.00 (# 267:20 Single Ambig) &rst ixpk= 267, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1290,1291,1341,1340, &end # # 0 AMB 20-2:268 84 PRO HA 4.00 (# 268:20 Single Ambig) &rst ixpk= 268, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1294,1290,1291, &end # # 0 AMB 20-2:269 70 PRO HA 5.00 (# 269:20 Single Ambig) &rst ixpk= 269, nxpk= 20, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1092,1091,1071,1088,1075, &end # # 0 AMB 20-2:270 84 PRO HA 6.00 (# 270:20 Single Ambig) &rst ixpk= 270, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1290,1291,1341,1357, &end # # 83 ASN HA 84 PRO HA 6.00 (# 272:20 Unique 4.42, 4.42 A) &rst ixpk= 272, nxpk= 20, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 98 TYR HD1 98 TYR HA 4.00 (# 273:20 Unique 2.03, 2.03 A) &rst ixpk= 273, nxpk= 20, iat=1529,1523, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:274 98 TYR HA 5.00 (# 274:20 Single Ambig) &rst ixpk= 274, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1531,1536, &end # # 0 AMB 20-2:275 98 TYR HA 5.00 (# 275:20 Single Ambig) &rst ixpk= 275, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1544,1453, &end # # 98 TYR HB2 98 TYR HA 4.00 (# 277:20 Unique 2.97, 2.97 A) &rst ixpk= 277, nxpk= 20, iat=1525,1523, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:278 98 TYR HA 4.00 (# 278:20 Single Ambig) &rst ixpk= 278, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1526,1512, &end # # 101 ASN HB3 98 TYR HA 5.00 (# 279:20 Unique 3.90, 3.90 A) &rst ixpk= 279, nxpk= 20, iat=1573,1523, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:280 98 TYR HA 6.00 (# 280:20 Single Ambig) &rst ixpk= 280, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1504,1587,1546,1631, 516, &end # # 0 AMB 20-2:281 98 TYR HA 6.00 (# 281:20 Single Ambig) &rst ixpk= 281, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1504,1509,1503,1456, 516, &end # # 0 AMB 20-2:282 98 TYR HA 6.00 (# 282:20 Single Ambig) &rst ixpk= 282, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1504,1510, 516,1604, &end # # 0 AMB 20-2:283 98 TYR HA 6.00 (# 283:20 Single Ambig) &rst ixpk= 283, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1504, 516,1604, &end # # 0 AMB 20-2:284 98 TYR HA 5.00 (# 284:20 Single Ambig) &rst ixpk= 284, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1504,1563,1562, 516,1604, &end # # 0 AMB 20-2:285 98 TYR HA 6.00 (# 285:20 Single Ambig) &rst ixpk= 285, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1504,1506, 516, &end # # 97 LYS HG3 98 TYR HA 6.00 (# 286:20 Unique 3.05, 3.05 A) &rst ixpk= 286, nxpk= 20, iat=1507,1523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:287 98 TYR HA 5.00 (# 287:20 Single Ambig) &rst ixpk= 287, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1553,1552,1554,1549,1548, &end # # 0 AMB 20-2:288 98 TYR HA 5.00 (# 288:20 Single Ambig) &rst ixpk= 288, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 571, 655, 569, 570, &end # # 0 AMB 20-2:289 98 TYR HA 6.00 (# 289:20 Single Ambig) &rst ixpk= 289, nxpk= 20, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 500, 498, 499, &end # # 67 PRO HD2 67 PRO HA 4.00 (# 292:20 Unique 4.03, 4.03 A) &rst ixpk= 292, nxpk= 20, iat=1018,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:293 67 PRO HA 4.00 (# 293:20 Single Ambig) &rst ixpk= 293, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1018,1011, &end # # 0 AMB 20-2:294 67 PRO HA 4.00 (# 294:20 Single Ambig) &rst ixpk= 294, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1018,1035, &end # # 0 AMB 20-2:295 67 PRO HA 5.00 (# 295:20 Single Ambig) &rst ixpk= 295, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1018,1036, &end # # 0 AMB 20-2:296 67 PRO HA 5.00 (# 296:20 Single Ambig) &rst ixpk= 296, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1019,1018, &end # # 67 PRO HB2 67 PRO HA 3.50 (# 297:20 Unique 2.73, 2.73 A) &rst ixpk= 297, nxpk= 20, iat=1024,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 71 GLN HB2 67 PRO HA 4.20 (# 298:20 Unique 7.51, 7.51 A #relfrom4.0to4.2on0927) &rst ixpk= 298, nxpk= 20, iat=1071,1027, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 0 AMB 20-2:300 67 PRO HA 4.20 (# 300:20 Single Ambig #releasedfrom4.0to4.2on0927) &rst ixpk= 300, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 989,1071, &end # # 0 AMB 20-2:302 65 LYS HA 5.00 (# 302:20 Single Ambig) &rst ixpk= 302, nxpk= 20, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 929, 953,1018, &end # # 0 AMB 20-2:303 65 LYS HA 5.00 (# 303:20 Single Ambig) &rst ixpk= 303, nxpk= 20, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 997, 998,1018, &end # # 65 LYS HB2 65 LYS HA 3.50 (# 304:20 Unique 2.99, 2.99 A) &rst ixpk= 304, nxpk= 20, iat= 988, 986, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:306 65 LYS HA 3.50 (# 306:20 Single Ambig) &rst ixpk= 306, nxpk= 20, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 992, 325, 327, &end # # 0 AMB 20-2:307 65 LYS HA 6.00 (# 307:20 Single Ambig) &rst ixpk= 307, nxpk= 20, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 915, 957, 302, &end # # 0 AMB 20-2:308 65 LYS HA 3.00 (# 308:20 Single Ambig) &rst ixpk= 308, nxpk= 20, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1= 241, 243, 242, 974, 917, &end # # 53 SER HA 54 PRO HA 6.00 (# 309:20 Unique 4.97, 4.97 A) &rst ixpk= 309, nxpk= 20, iat= 797, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:310 54 PRO HA 4.00 (# 310:20 Single Ambig) &rst ixpk= 310, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 807, 799, &end # # 0 AMB 20-2:311 54 PRO HA 4.00 (# 311:20 Single Ambig) &rst ixpk= 311, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 808, 843, &end # # 0 AMB 20-2:312 54 PRO HA 5.00 (# 312:20 Single Ambig) &rst ixpk= 312, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 811, 810, &end # # 0 AMB 20-2:313 54 PRO HA 3.00 (# 313:20 Single Ambig) &rst ixpk= 313, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 811, 813, 810, &end # # 0 AMB 20-2:314 54 PRO HA 3.50 (# 314:20 Single Ambig) &rst ixpk= 314, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 811, 810, &end # # 0 AMB 20-2:315 54 PRO HA 3.50 (# 315:20 Single Ambig) &rst ixpk= 315, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 814, 811, &end # # 0 AMB 20-2:316 54 PRO HA 5.00 (# 316:20 Single Ambig) &rst ixpk= 316, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 811, 810, 848, &end # # 0 AMB 20-2:317 54 PRO HA 4.00 (# 317:20 Single Ambig) &rst ixpk= 317, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 846, 811, 845, &end # # 0 AMB 20-2:318 54 PRO HA 4.00 (# 318:20 Single Ambig) &rst ixpk= 318, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 854, 125, 126, &end # # 0 AMB 20-2:319 54 PRO HA 6.00 (# 319:20 Single Ambig) &rst ixpk= 319, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 811, 810, &end # # 0 AMB 20-2:320 54 PRO HA 6.00 (# 320:20 Single Ambig) &rst ixpk= 320, nxpk= 20, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 811, 810, &end # # 99 VAL HA 100 ALA HA 5.00 (# 324:20 Unique 4.62, 4.62 A) &rst ixpk= 324, nxpk= 20, iat=1544,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:325 100 ALA HA 6.00 (# 325:20 Single Ambig) &rst ixpk= 325, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1572,1606,1526, &end # # 0 AMB 20-2:326 100 ALA HA 6.00 (# 326:20 Single Ambig) &rst ixpk= 326, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1573,1606, &end # # 0 AMB 20-2:327 100 ALA HA 5.00 (# 327:20 Single Ambig) &rst ixpk= 327, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1604,1546,1603,1606, &end # # 0 AMB 20-2:328 100 ALA HA 6.00 (# 328:20 Single Ambig) &rst ixpk= 328, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1604,1606, &end # # 0 AMB 20-2:329 100 ALA HA 3.00 (# 329:20 Single Ambig) &rst ixpk= 329, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=1562,1564,1563, &end # # 0 AMB 20-2:330 100 ALA HA 5.00 (# 330:20 Single Ambig) &rst ixpk= 330, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1553,1552,1554, &end # # 55 SER HB2 55 SER HA 3.00 (# 331:20 Unique 2.51, 2.51 A) &rst ixpk= 331, nxpk= 20, iat= 824, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 55 SER HB3 55 SER HA 3.00 (# 332:20 Unique 2.37, 2.37 A) &rst ixpk= 332, nxpk= 20, iat= 825, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 0 AMB 20-2:333 55 SER HA 5.00 (# 333:20 Single Ambig) &rst ixpk= 333, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 811, 810, 720, &end # # 0 AMB 20-2:334 55 SER HA 5.00 (# 334:20 Single Ambig) &rst ixpk= 334, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 811, 810, &end # # 0 AMB 20-2:335 55 SER HA 4.00 (# 335:20 Single Ambig) &rst ixpk= 335, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 864, 811, 810, &end # # 0 AMB 20-2:336 55 SER HA 4.50 (# 336:20 Single Ambig releasedfrom4.0to4.5on0927) &rst ixpk= 336, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 811, 810, &end # # 0 AMB 20-2:337 55 SER HA 6.00 (# 337:20 Single Ambig) &rst ixpk= 337, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 836, 835, 837, 811, 810, &end # # 0 AMB 20-2:338 55 SER HA 5.00 (# 338:20 Single Ambig) &rst ixpk= 338, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 855, 854, 856,1208, 193, &end # # 69 SER HA 68 SER HA 6.00 (# 339:20 Unique 4.68, 4.68 A) &rst ixpk= 339, nxpk= 20, iat=1044,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:340 0 AMB 20-1:340 5.00 (# 340:20 Double Ambig) &rst ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1355,1046,1018, igr2=1302,1033, &end # # 0 AMB 20-2:341 0 AMB 20-1:341 5.00 (# 341:20 Double Ambig) &rst ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1=1018, 348,1338, 347, 967, igr2=1033,1302, &end # # 68 SER HB2 68 SER HA 3.50 (# 342:20 Unique 2.42, 2.42 A) &rst ixpk= 342, nxpk= 20, iat=1035,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 SER HB3 68 SER HA 3.50 (# 343:20 Unique 2.47, 2.47 A) &rst ixpk= 343, nxpk= 20, iat=1036,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:344 0 AMB 20-1:344 5.00 (# 344:20 Double Ambig) &rst ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1290,1341,1291,1075, igr2=1302,1033, &end # # 0 AMB 20-2:345 0 AMB 20-1:345 5.00 (# 345:20 Double Ambig) &rst ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1=1290,1024,1071,1341,1291, igr2=1302,1033, &end # # 0 AMB 20-2:346 68 SER HA 6.00 (# 346:20 Single Ambig) &rst ixpk= 346, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 337, 339, 338, &end # # 0 AMB 20-2:347 56 ALA HA 5.00 (# 347:20 Single Ambig) &rst ixpk= 347, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1266, 879, &end # # 0 AMB 20-2:348 56 ALA HA 5.00 (# 348:20 Single Ambig) &rst ixpk= 348, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 824,1266, 843, &end # # 0 AMB 20-2:349 56 ALA HA 5.00 (# 349:20 Single Ambig) &rst ixpk= 349, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1266, 825, 800,1222, &end # # 59 ASP HB2 56 ALA HA 4.00 (# 350:20 Unique 2.42, 2.42 A) &rst ixpk= 350, nxpk= 20, iat= 881, 833, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 59 ASP HB3 56 ALA HA 4.00 (# 351:20 Unique 3.54, 3.54 A) &rst ixpk= 351, nxpk= 20, iat= 882, 833, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:352 56 ALA HA 3.00 (# 352:20 Single Ambig) &rst ixpk= 352, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 835, 837, 836, &end # # 0 AMB 20-2:353 56 ALA HA 5.00 (# 353:20 Single Ambig) &rst ixpk= 353, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1211,1328, &end # # 0 AMB 20-2:354 56 ALA HA 4.00 (# 354:20 Single Ambig) &rst ixpk= 354, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1208,1209,1211,1207, &end # # 0 AMB 20-2:355 56 ALA HA 5.00 (# 355:20 Single Ambig) &rst ixpk= 355, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1211,1215,1216, &end # # 69 SER HA 69 SER HB3 4.00 (# 356:20 Unique 2.54, 2.54 A) &rst ixpk= 356, nxpk= 20, iat=1044,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 69 SER HB2 69 SER HB3 3.00 (# 357:20 Unique 1.75, 1.75 A) &rst ixpk= 357, nxpk= 20, iat=1046,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 0 AMB 20-2:358 69 SER HB3 4.00 (# 358:20 Single Ambig) &rst ixpk= 358, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1054,1018, &end # # 0 AMB 20-2:359 69 SER HB3 5.00 (# 359:20 Single Ambig) &rst ixpk= 359, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1018,1036, &end # # 0 AMB 20-2:360 69 SER HB3 6.00 (# 360:20 Single Ambig) &rst ixpk= 360, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1021,1022, &end # # 0 AMB 20-2:361 69 SER HB3 5.00 (# 361:20 Single Ambig) &rst ixpk= 361, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1075,1071,1074,1058,1072, &end # # 10 LEU HA 86 LEU HA 4.50 (# 363:20 Unique 4.88, 4.88 A) &rst ixpk= 363, nxpk= 20, iat= 136,1319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:364 86 LEU HA 6.00 (# 364:20 Single Ambig) &rst ixpk= 364, nxpk= 20, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1338, 83, &end # # 0 AMB 20-2:365 86 LEU HA 6.00 (# 365:20 Single Ambig) &rst ixpk= 365, nxpk= 20, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1375,1222, &end # # 0 AMB 20-2:366 86 LEU HA 6.00 (# 366:20 Single Ambig) &rst ixpk= 366, nxpk= 20, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1277,1344, &end # # 0 AMB 20-2:367 86 LEU HA 6.00 (# 367:20 Single Ambig) &rst ixpk= 367, nxpk= 20, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1341,1276,1343,1344,1290, &end # # 0 AMB 20-2:368 86 LEU HA 6.00 (# 368:20 Single Ambig) &rst ixpk= 368, nxpk= 20, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1341,1307,1344,1290, &end # # 86 LEU HB3 86 LEU HA 4.00 (# 369:20 Unique 2.98, 2.98 A) &rst ixpk= 369, nxpk= 20, iat=1322,1319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 86 LEU HB2 86 LEU HA 3.50 (# 370:20 Unique 2.36, 2.36 A) &rst ixpk= 370, nxpk= 20, iat=1321,1319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:372 86 LEU HA 3.50 (# 372:20 Single Ambig) &rst ixpk= 372, nxpk= 20, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1368,1367,1369, &end # # 0 AMB 20-2:374 86 LEU HA 3.50 (# 374:20 Single Ambig) &rst ixpk= 374, nxpk= 20, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 144, 145, &end # # 98 TYR HD2 95 THR HB 6.00 (# 377:20 Unique 4.48, 4.48 A) &rst ixpk= 377, nxpk= 20, iat=1538,1479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 43 ALA HA 95 THR HB 4.00 (# 378:20 Unique 3.04, 3.04 A) &rst ixpk= 378, nxpk= 20, iat= 632,1479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 95 THR HA 95 THR HB 4.00 (# 380:20 Unique 2.28, 2.28 A) &rst ixpk= 380, nxpk= 20, iat=1477,1479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:381 95 THR HB 6.00 (# 381:20 Single Ambig) &rst ixpk= 381, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 513,1395, &end # # 0 AMB 20-2:382 95 THR HB 6.00 (# 382:20 Single Ambig) &rst ixpk= 382, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1525,1425,1426, &end # # 0 AMB 20-2:383 95 THR HB 6.00 (# 383:20 Single Ambig) &rst ixpk= 383, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1425,1426, &end # # 0 AMB 20-2:384 95 THR HB 6.00 (# 384:20 Single Ambig) &rst ixpk= 384, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1546,1422, 563, &end # # 0 AMB 20-2:385 95 THR HB 5.00 (# 385:20 Single Ambig) &rst ixpk= 385, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1422,1423,1504,1607, &end # # 0 AMB 20-2:386 95 THR HB 6.00 (# 386:20 Single Ambig) &rst ixpk= 386, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1420,1422, 496,1419,1423, &end # # 0 AMB 20-2:387 95 THR HB 5.00 (# 387:20 Single Ambig) &rst ixpk= 387, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1=1420,1422,1493,1419,1494,1423,1495, &end # # 0 AMB 20-2:388 95 THR HB 3.50 (# 388:20 Single Ambig) &rst ixpk= 388, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1481,1483,1482, &end # # 0 AMB 20-2:389 95 THR HB 4.00 (# 389:20 Single Ambig) &rst ixpk= 389, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 569, 654, 571, 570, 655,1420, &end # # 0 AMB 20-2:390 95 THR HB 6.00 (# 390:20 Single Ambig) &rst ixpk= 390, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 499, 500, 498, &end # # 59 ASP HA 63 THR HB 5.00 (# 391:20 Unique 5.23, 5.23 A) &rst ixpk= 391, nxpk= 20, iat= 879, 955, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 76 VAL HA 63 THR HB 6.00 (# 393:20 Unique 4.32, 4.32 A) &rst ixpk= 393, nxpk= 20, iat=1154, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 59 ASP HB3 63 THR HB 6.00 (# 394:20 Unique 5.07, 5.07 A) &rst ixpk= 394, nxpk= 20, iat= 882, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:398 63 THR HB 5.00 (# 398:20 Single Ambig) &rst ixpk= 398, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 894,1156,1143, &end # # 60 LEU HG 63 THR HB 5.00 (# 399:20 Unique 4.32, 4.32 A) &rst ixpk= 399, nxpk= 20, iat= 896, 955, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:400 63 THR HB 5.00 (# 400:20 Single Ambig) &rst ixpk= 400, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 896, 935, 934,1211, 932, &end # # 0 AMB 20-2:401 63 THR HB 5.00 (# 401:20 Single Ambig) &rst ixpk= 401, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 896,1205, 935, 934, 972,1211, &end # # 0 AMB 20-2:402 63 THR HB 6.00 (# 402:20 Single Ambig) &rst ixpk= 402, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 896, 935, 934,1211,1227, &end # # 0 AMB 20-2:403 63 THR HB 5.00 (# 403:20 Single Ambig) &rst ixpk= 403, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 896, 893, 935, 934, 239,1211, &end # # 0 AMB 20-2:404 63 THR HB 6.00 (# 404:20 Single Ambig) &rst ixpk= 404, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 896, 935, 934,1211, &end # # 0 AMB 20-2:405 63 THR HB 3.50 (# 405:20 Single Ambig) &rst ixpk= 405, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 959, 957, 958, &end # # 0 AMB 20-2:406 63 THR HB 4.00 (# 406:20 Single Ambig) &rst ixpk= 406, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1159, 247, 896,1158,1160, 246, 245, &end # # 0 AMB 20-2:407 63 THR HB 4.00 (# 407:20 Single Ambig) &rst ixpk= 407, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1215,1214,1216, &end # # 0 AMB 20-2:408 63 THR HB 6.00 (# 408:20 Single Ambig) &rst ixpk= 408, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1162,1211,1164,1163, &end # # 90 PHE HA 89 ALA HA 6.00 (# 410:20 Unique 5.01, 5.01 A) &rst ixpk= 410, nxpk= 20, iat=1375,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:412 89 ALA HA 6.00 (# 412:20 Single Ambig) &rst ixpk= 412, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1441,1442,1341, &end # # 0 AMB 20-2:413 89 ALA HA 6.00 (# 413:20 Single Ambig) &rst ixpk= 413, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1416,1441,1442, &end # # 0 AMB 20-2:415 89 ALA HA 5.00 (# 415:20 Single Ambig) &rst ixpk= 415, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1441,1419,1442,1423,1422,1420, 255, 693,1341, &end # # 0 AMB 20-2:416 89 ALA HA 4.00 (# 416:20 Single Ambig) &rst ixpk= 416, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1419,1423,1422,1420,1321,1341, &end # # 0 AMB 20-2:417 89 ALA HA 3.00 (# 417:20 Single Ambig) &rst ixpk= 417, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=1367,1369,1368, &end # # 0 AMB 20-2:418 89 ALA HA 5.00 (# 418:20 Single Ambig) &rst ixpk= 418, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1419,1423,1422,1420,1341, &end # # 0 AMB 20-2:419 89 ALA HA 4.00 (# 419:20 Single Ambig) &rst ixpk= 419, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 145,1419,1399, 144, 143,1420,1401, &end # # 0 AMB 20-2:422 96 ALA HA 5.00 (# 422:20 Single Ambig) &rst ixpk= 422, nxpk= 20, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1477, 275, &end # # 0 AMB 20-2:424 96 ALA HA 6.00 (# 424:20 Single Ambig) &rst ixpk= 424, nxpk= 20, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1504,1441,1442,1455,1607, &end # # 0 AMB 20-2:425 96 ALA HA 6.00 (# 425:20 Single Ambig) &rst ixpk= 425, nxpk= 20, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1504,1503,1420,1442,1419, &end # # 0 AMB 20-2:426 96 ALA HA 3.00 (# 426:20 Single Ambig) &rst ixpk= 426, nxpk= 20, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=1493,1495,1494, &end # # 0 AMB 20-2:427 96 ALA HA 5.00 (# 427:20 Single Ambig) &rst ixpk= 427, nxpk= 20, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1=1482,1483,1420,1481,1506,1419, 502, &end # # 0 AMB 20-2:428 96 ALA HA 4.00 (# 428:20 Single Ambig) &rst ixpk= 428, nxpk= 20, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1548,1550,1420,1549, &end # # 0 AMB 20-2:429 75 GLN HA 5.00 (# 429:20 Single Ambig) &rst ixpk= 429, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1189,1103, &end # # 0 AMB 20-2:432 75 GLN HA 6.00 (# 432:20 Single Ambig) &rst ixpk= 432, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1103,1203, &end # # 76 VAL HA 75 GLN HA 6.00 (# 433:20 Unique 4.71, 4.71 A) &rst ixpk= 433, nxpk= 20, iat=1154,1137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 78 ASN HB3 75 GLN HA 4.00 (# 434:20 Unique 3.61, 3.61 A) &rst ixpk= 434, nxpk= 20, iat=1192,1137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:435 75 GLN HA 4.00 (# 435:20 Single Ambig) &rst ixpk= 435, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1191,1126,1125, &end # # 0 AMB 20-2:436 75 GLN HA 3.50 (# 436:20 Single Ambig) &rst ixpk= 436, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1142,1122,1126,1125,1123,1072, &end # # 75 GLN HB2 75 GLN HA 3.00 (# 438:20 Unique 2.40, 2.40 A) &rst ixpk= 438, nxpk= 20, iat=1139,1137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 75 GLN HB3 75 GLN HA 3.00 (# 439:20 Unique 2.41, 2.41 A) &rst ixpk= 439, nxpk= 20, iat=1140,1137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 0 AMB 20-2:440 75 GLN HA 4.00 (# 440:20 Single Ambig) &rst ixpk= 440, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1122,1126,1125,1123,1205,1072,1211, &end # # 0 AMB 20-2:441 75 GLN HA 6.00 (# 441:20 Single Ambig) &rst ixpk= 441, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 958, 959, 957,1211, &end # # 0 AMB 20-2:442 75 GLN HA 6.00 (# 442:20 Single Ambig) &rst ixpk= 442, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1159,1211,1158,1160,1175, &end # # 0 AMB 20-2:443 75 GLN HA 6.00 (# 443:20 Single Ambig) &rst ixpk= 443, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 416, 414, 415,1211, &end # # 0 AMB 20-2:444 75 GLN HA 5.00 (# 444:20 Single Ambig) &rst ixpk= 444, nxpk= 20, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1214,1216,1215,1211, &end # # 59 ASP HA 62 ARG HA 6.00 (# 445:20 Unique 5.98, 5.98 A) &rst ixpk= 445, nxpk= 20, iat= 879, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:446 62 ARG HA 6.00 (# 446:20 Single Ambig) &rst ixpk= 446, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 986,1018, &end # # 0 AMB 20-2:447 62 ARG HA 5.00 (# 447:20 Single Ambig) &rst ixpk= 447, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 938, 937, &end # # 0 AMB 20-2:448 62 ARG HA 5.00 (# 448:20 Single Ambig) &rst ixpk= 448, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 997, 938, 998, &end # # 0 AMB 20-2:449 62 ARG HA 3.00 (# 449:20 Single Ambig) &rst ixpk= 449, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 932, 935, 934, &end # # 0 AMB 20-2:450 62 ARG HA 3.50 (# 450:20 Single Ambig) &rst ixpk= 450, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 935, 934, 915, &end # # 0 AMB 20-2:451 62 ARG HA 3.50 (# 451:20 Single Ambig) &rst ixpk= 451, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 935, 934, 989, 915, &end # # 0 AMB 20-2:452 62 ARG HA 3.50 (# 452:20 Single Ambig) &rst ixpk= 452, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 935, 934, 915, &end # # 0 AMB 20-2:453 62 ARG HA 4.00 (# 453:20 Single Ambig) &rst ixpk= 453, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 935, 934, 915, &end # # 0 AMB 20-2:454 62 ARG HA 5.00 (# 454:20 Single Ambig) &rst ixpk= 454, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1= 243, 242, 915, 241, 917, 919, 918, &end # # 83 ASN HA 52 ILE HA 6.00 (# 456:20 Unique 5.20, 5.20 A) &rst ixpk= 456, nxpk= 20, iat=1274, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:457 52 ILE HA 6.00 (# 457:20 Single Ambig) &rst ixpk= 457, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 729, 797, &end # # 0 AMB 20-2:458 52 ILE HA 5.00 (# 458:20 Single Ambig) &rst ixpk= 458, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 767,1263, &end # # 0 AMB 20-2:459 52 ILE HA 6.00 (# 459:20 Single Ambig) &rst ixpk= 459, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 723,1266, &end # # 0 AMB 20-2:460 52 ILE HA 6.00 (# 460:20 Single Ambig) &rst ixpk= 460, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1266, 816, 715, &end # # 0 AMB 20-2:461 52 ILE HA 5.00 (# 461:20 Single Ambig) &rst ixpk= 461, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1265, 743,1266, 715, 68, &end # # 0 AMB 20-2:462 52 ILE HA 5.00 (# 462:20 Single Ambig) &rst ixpk= 462, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 770, 769,1287, 800,1266, 715, &end # # 0 AMB 20-2:463 52 ILE HA 5.00 (# 463:20 Single Ambig) &rst ixpk= 463, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 720, 810, 811, &end # # 0 AMB 20-2:464 52 ILE HA 5.00 (# 464:20 Single Ambig) &rst ixpk= 464, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 810, 811, 746, 745, &end # # 0 AMB 20-2:465 52 ILE HA 5.00 (# 465:20 Single Ambig) &rst ixpk= 465, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 721, 810, 718, 811, 717, &end # # 52 ILE HB 52 ILE HA 4.00 (# 466:20 Unique 2.99, 2.99 A) &rst ixpk= 466, nxpk= 20, iat= 780, 778, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:467 52 ILE HA 4.00 (# 467:20 Single Ambig) &rst ixpk= 467, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 786, 810, &end # # 0 AMB 20-2:468 52 ILE HA 6.00 (# 468:20 Single Ambig) &rst ixpk= 468, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 810, 811, 836, 746, 835, &end # # 52 ILE HG13 52 ILE HA 4.50 (# 469:20 Unique 3.83, 3.83 A released0919from4to4.5) &rst ixpk= 469, nxpk= 20, iat= 787, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:470 52 ILE HA 3.00 (# 470:20 Single Ambig) &rst ixpk= 470, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 783, 782, 784, &end # # 0 AMB 20-2:472 52 ILE HA 6.00 (# 472:20 Single Ambig) &rst ixpk= 472, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 732,1277, &end # # 0 AMB 20-2:473 52 ILE HA 6.00 (# 473:20 Single Ambig) &rst ixpk= 473, nxpk= 20, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1276, 810, 811, &end # # 0 AMB 20-2:475 88 ALA HA 5.50 (# 475:20 Single Ambigreleasedon0619spindiff?) &rst ixpk= 475, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1302,1319, &end # # 87 MET HA 88 ALA HA 6.00 (# 476:20 Unique 4.72, 4.72 A) &rst ixpk= 476, nxpk= 20, iat=1338,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:478 88 ALA HA 6.00 (# 478:20 Single Ambig) &rst ixpk= 478, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1395, 205, &end # # 0 AMB 20-2:479 88 ALA HA 6.00 (# 479:20 Single Ambig) &rst ixpk= 479, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1344,1377,1426, &end # # 0 AMB 20-2:480 88 ALA HA 6.00 (# 480:20 Single Ambig) &rst ixpk= 480, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1341,1343,1344, &end # # 0 AMB 20-2:481 88 ALA HA 5.00 (# 481:20 Single Ambig) &rst ixpk= 481, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1341,1344, &end # # 0 AMB 20-2:482 88 ALA HA 6.00 (# 482:20 Single Ambig) &rst ixpk= 482, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1341,1344,1438, &end # # 0 AMB 20-2:483 88 ALA HA 4.00 (# 483:20 Single Ambig) &rst ixpk= 483, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1397,1341, &end # # 0 AMB 20-2:484 88 ALA HA 5.00 (# 484:20 Single Ambig) &rst ixpk= 484, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1403,1341,1423,1344,1422, &end # # 0 AMB 20-2:485 88 ALA HA 6.00 (# 485:20 Single Ambig) &rst ixpk= 485, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1341,1423,1344,1422,1419, &end # # 0 AMB 20-2:486 88 ALA HA 6.00 (# 486:20 Single Ambig) &rst ixpk= 486, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1341,1423,1422, 471,1419, &end # # 0 AMB 20-2:487 88 ALA HA 3.00 (# 487:20 Single Ambig) &rst ixpk= 487, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=1357,1359,1358, &end # # 0 AMB 20-2:488 88 ALA HA 6.00 (# 488:20 Single Ambig) &rst ixpk= 488, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1341,1423,1422,1419, &end # # 0 AMB 20-2:489 88 ALA HA 6.00 (# 489:20 Single Ambig) &rst ixpk= 489, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 507,1419, 503, 505, 258, &end # # 0 AMB 20-2:490 88 ALA HA 4.00 (# 490:20 Single Ambig) &rst ixpk= 490, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1406,1407, &end # # 0 AMB 20-2:491 88 ALA HA 5.00 (# 491:20 Single Ambig) &rst ixpk= 491, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1=1401,1399,1400,1330, 550, 551,1419, &end # # 67 PRO HD2 66 SER HB2 6.00 (# 499:20 Unique 2.15, 2.15 A) &rst ixpk= 499, nxpk= 20, iat=1018,1010, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 67 PRO HD2 66 SER HB2 5.00 (# 500:20 Unique 2.15, 2.15 A) &rst ixpk= 500, nxpk= 20, iat=1018,1010, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 67 PRO HD2 66 SER HB2 4.00 (# 501:20 Unique 2.15, 2.15 A) &rst ixpk= 501, nxpk= 20, iat=1018,1010, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:502 66 SER HB2 4.00 (# 502:20 Single Ambig) &rst ixpk= 502, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1018,1019, &end # # 0 AMB 20-2:503 66 SER HB2 6.00 (# 503:20 Single Ambig) &rst ixpk= 503, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1074,1075, &end # # 0 AMB 20-2:504 66 SER HB2 5.00 (# 504:20 Single Ambig) &rst ixpk= 504, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1071,1074,1075,1072, &end # # 0 AMB 20-2:505 66 SER HB2 6.00 (# 505:20 Single Ambig) &rst ixpk= 505, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1024,1071,1074,1075,1072, &end # # 0 AMB 20-2:506 66 SER HB2 5.00 (# 506:20 Single Ambig) &rst ixpk= 506, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1021,1022,1071,1074,1075, &end # # 0 AMB 20-2:507 66 SER HB2 5.00 (# 507:20 Single Ambig) &rst ixpk= 507, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1071,1074,1075,1072, &end # # 0 AMB 20-2:508 66 SER HB2 4.00 (# 508:20 Single Ambig) &rst ixpk= 508, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 931, 988, 935,1071,1074,1075,1072, &end # # 0 AMB 20-2:509 66 SER HB2 6.00 (# 509:20 Single Ambig) &rst ixpk= 509, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1= 935, 989,1071,1074,1075,1072, 934, &end # # 0 AMB 20-2:510 66 SER HB2 6.00 (# 510:20 Single Ambig) &rst ixpk= 510, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1= 935, 337, 958, 339, 338, 957, 934, &end # # 0 AMB 20-2:515 54 PRO HD2 3.50 (# 515:20 Single Ambig) &rst ixpk= 515, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 797, 729, &end # # 0 AMB 20-2:516 54 PRO HD2 5.00 (# 516:20 Single Ambig) &rst ixpk= 516, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 816, 6, 715, &end # # 0 AMB 20-2:517 54 PRO HD2 6.00 (# 517:20 Single Ambig) &rst ixpk= 517, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 715,1266, &end # # 48 PRO HD3 54 PRO HD2 6.00 (# 518:20 Unique 6.00, 6.00 A) &rst ixpk= 518, nxpk= 20, iat= 715, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:519 54 PRO HD2 5.00 (# 519:20 Single Ambig) &rst ixpk= 519, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 810, 813, 811, &end # # 0 AMB 20-2:520 54 PRO HD2 4.00 (# 520:20 Single Ambig) &rst ixpk= 520, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 810, 811, &end # # 0 AMB 20-2:521 54 PRO HD2 4.00 (# 521:20 Single Ambig) &rst ixpk= 521, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 810, 811, 814, &end # # 0 AMB 20-2:522 54 PRO HD2 5.00 (# 522:20 Single Ambig) &rst ixpk= 522, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 125, 124, 126, 782, 783, 854, &end # # 0 AMB 20-2:523 87 MET HA 6.00 (# 523:20 Single Ambig) &rst ixpk= 523, nxpk= 20, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1387,1385,1383, &end # # 0 AMB 20-2:525 0 AMB 20-1:525 5.00 (# 525:20 Double Ambig) &rst ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1103, 28,1189, 723, igr2=1120, 743, &end # # 73 GLN HA 74 GLN HA 5.00 (# 526:20 Unique 4.30, 4.30 A) &rst ixpk= 526, nxpk= 20, iat=1103,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 73 GLN HA 74 GLN HA 5.00 (# 527:20 Unique 4.30, 4.30 A) &rst ixpk= 527, nxpk= 20, iat=1103,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 50 ARG HD2 50 ARG HA 5.00 (# 528:20 Unique 2.12, 2.12 A) &rst ixpk= 528, nxpk= 20, iat= 751, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:529 74 GLN HA 5.00 (# 529:20 Single Ambig) &rst ixpk= 529, nxpk= 20, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1126,1125, &end # # 0 AMB 20-2:530 74 GLN HA 3.50 (# 530:20 Single Ambig) &rst ixpk= 530, nxpk= 20, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1123,1122,1126, &end # # 0 AMB 20-2:531 87 MET HA 3.00 (# 531:20 Single Ambig) &rst ixpk= 531, nxpk= 20, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1=1341,1344, 258,1347, &end # # 0 AMB 20-2:532 74 GLN HA 4.00 (# 532:20 Single Ambig) &rst ixpk= 532, nxpk= 20, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1172,1123,1122, &end # # 0 AMB 20-2:533 50 ARG HA 5.00 (# 533:20 Single Ambig) &rst ixpk= 533, nxpk= 20, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 745, 749, 748, &end # # 0 AMB 20-2:534 74 GLN HA 5.00 (# 534:20 Single Ambig) &rst ixpk= 534, nxpk= 20, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1175,1177,1178, &end # # 0 AMB 20-2:535 74 GLN HA 5.00 (# 535:20 Single Ambig) &rst ixpk= 535, nxpk= 20, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1182,1181,1183, &end # # 0 AMB 20-2:536 0 AMB 20-1:536 5.00 (# 536:20 Double Ambig) &rst ixpk= 536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1182, 408, 790,1181, 791, 409,1183, 789, 407, igr2=1120, 743, &end # # 0 AMB 20-2:539 97 LYS HA 6.00 (# 539:20 Single Ambig) &rst ixpk= 539, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1529,1538, &end # # 0 AMB 20-2:541 97 LYS HA 5.00 (# 541:20 Single Ambig) &rst ixpk= 541, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 297, 272,1560, &end # # 0 AMB 20-2:542 97 LYS HA 5.00 (# 542:20 Single Ambig) &rst ixpk= 542, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1512,1513, &end # # 0 AMB 20-2:543 97 LYS HA 6.00 (# 543:20 Single Ambig) &rst ixpk= 543, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1573,1442, &end # # 97 LYS HB3 97 LYS HA 6.00 (# 544:20 Unique 3.00, 3.00 A) &rst ixpk= 544, nxpk= 20, iat=1504,1501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:545 97 LYS HA 3.00 (# 545:20 Single Ambig) &rst ixpk= 545, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=1509,1503,1504, &end # # 0 AMB 20-2:546 97 LYS HA 4.00 (# 546:20 Single Ambig) &rst ixpk= 546, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1504,1494,1495, &end # # 0 AMB 20-2:547 97 LYS HA 4.00 (# 547:20 Single Ambig) &rst ixpk= 547, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1504,1506, &end # # 97 LYS HG3 97 LYS HA 5.00 (# 548:20 Unique 3.24, 3.24 A) &rst ixpk= 548, nxpk= 20, iat=1507,1501, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:549 97 LYS HA 6.00 (# 549:20 Single Ambig) &rst ixpk= 549, nxpk= 20, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1553, 366, 367, &end # # 53 SER HA 53 SER HB2 4.00 (# 562:20 Unique 2.99, 2.99 A) &rst ixpk= 562, nxpk= 20, iat= 797, 799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:563 53 SER HB2 5.50 (# 563:20 Single Ambig released5.0to5.5on0925) &rst ixpk= 563, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 6, 833,1266, &end # # 0 AMB 20-2:564 53 SER HB2 6.00 (# 564:20 Single Ambig) &rst ixpk= 564, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 811, 810, &end # # 0 AMB 20-2:565 53 SER HB2 6.00 (# 565:20 Single Ambig) &rst ixpk= 565, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 811, 122, 810, 814, &end # # 0 AMB 20-2:566 53 SER HB2 6.00 (# 566:20 Single Ambig) &rst ixpk= 566, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 811, 122, 810, 780, &end # # 0 AMB 20-2:567 53 SER HB2 4.00 (# 567:20 Single Ambig) &rst ixpk= 567, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 811, 122, 810, 836, &end # # 9 LEU HG 53 SER HB2 6.00 (# 568:20 Unique 4.56, 4.56 A) &rst ixpk= 568, nxpk= 20, iat= 122, 799, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:569 53 SER HB2 5.00 (# 569:20 Single Ambig) &rst ixpk= 569, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 125, 124, &end # # 0 AMB 20-2:570 94 ARG HA 5.00 (# 570:20 Single Ambig) &rst ixpk= 570, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1538,1383,1529, &end # # 0 AMB 20-2:571 94 ARG HA 5.50 (# 571:20 Unique 4.53, 4.53 A #keepitsgood1015) &rst ixpk= 571, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1389,1381, &end # # 0 AMB 20-2:572 94 ARG HA 6.00 (# 572:20 Single Ambig) &rst ixpk= 572, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1536,1531, &end # # 0 AMB 20-2:574 94 ARG HA 6.00 (# 574:20 Single Ambig) &rst ixpk= 574, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1395, 205, 513, &end # # 94 ARG HD2 94 ARG HA 4.00 (# 575:20 Unique 2.12, 2.12 A) &rst ixpk= 575, nxpk= 20, iat=1461,1453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:576 94 ARG HA 4.00 (# 576:20 Single Ambig) &rst ixpk= 576, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1462,1442, &end # # 0 AMB 20-2:577 94 ARG HA 4.00 (# 577:20 Single Ambig) &rst ixpk= 577, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1504,1455, &end # # 97 LYS HB3 94 ARG HA 6.00 (# 578:20 Unique 2.59, 2.59 A) &rst ixpk= 578, nxpk= 20, iat=1504,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:579 94 ARG HA 4.00 (# 579:20 Single Ambig) &rst ixpk= 579, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1456,1504,1503, &end # # 0 AMB 20-2:580 94 ARG HA 4.00 (# 580:20 Single Ambig) &rst ixpk= 580, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1504,1458, &end # # 0 AMB 20-2:581 94 ARG HA 5.00 (# 581:20 Single Ambig) &rst ixpk= 581, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1504,1459, &end # # 0 AMB 20-2:582 94 ARG HA 5.00 (# 582:20 Single Ambig) &rst ixpk= 582, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1504,1506, &end # # 0 AMB 20-2:583 94 ARG HA 5.00 (# 583:20 Single Ambig) &rst ixpk= 583, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1507, 256, 258, &end # # 0 AMB 20-2:584 94 ARG HA 5.00 (# 584:20 Single Ambig) &rst ixpk= 584, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 506, 507, 503, 505, 258, &end # # 0 AMB 20-2:585 94 ARG HA 5.00 (# 585:20 Single Ambig) &rst ixpk= 585, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 366, 367, 365, 571, 569, 570, 362, 363, 361, 567, 565, 566, &end # # 0 AMB 20-2:586 94 ARG HA 5.00 (# 586:20 Single Ambig) &rst ixpk= 586, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 500, 498, 499, 260, &end # # 0 AMB 20-2:588 66 SER HB3 5.00 (# 588:20 Single Ambig) &rst ixpk= 588, nxpk= 20, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1018, 986, &end # # 67 PRO HD2 66 SER HB3 5.00 (# 589:20 Unique 3.77, 3.77 A) &rst ixpk= 589, nxpk= 20, iat=1018,1011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 67 PRO HD2 66 SER HB3 6.00 (# 590:20 Unique 3.77, 3.77 A) &rst ixpk= 590, nxpk= 20, iat=1018,1011, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:591 66 SER HB3 6.00 (# 591:20 Single Ambig) &rst ixpk= 591, nxpk= 20, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1018, 938, &end # # 0 AMB 20-2:592 66 SER HB3 5.00 (# 592:20 Single Ambig) &rst ixpk= 592, nxpk= 20, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1071,1074,1072,1075,1024, &end # # 0 AMB 20-2:593 66 SER HB3 4.00 (# 593:20 Single Ambig) &rst ixpk= 593, nxpk= 20, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1071,1074,1072,1075, &end # # 0 AMB 20-2:594 66 SER HB3 6.00 (# 594:20 Single Ambig) &rst ixpk= 594, nxpk= 20, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1= 935, 969, 932, 934,1071,1074,1072, &end # # 0 AMB 20-2:595 66 SER HB3 6.00 (# 595:20 Single Ambig) &rst ixpk= 595, nxpk= 20, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 935, 934, &end # # 0 AMB 20-2:596 66 SER HB3 6.00 (# 596:20 Single Ambig) &rst ixpk= 596, nxpk= 20, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 935, 957, 958, 934, 959, &end # # 63 THR HB 60 LEU HA 5.00 (# 598:20 Unique 2.11, 2.11 A) &rst ixpk= 598, nxpk= 20, iat= 955, 891, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 79 ILE HA 60 LEU HA 6.00 (# 600:20 Unique 6.01, 6.01 A) &rst ixpk= 600, nxpk= 20, iat=1203, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 76 VAL HA 60 LEU HA 6.00 (# 601:20 Unique 4.64, 4.64 A) &rst ixpk= 601, nxpk= 20, iat=1154, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 59 ASP HB2 60 LEU HA 6.00 (# 602:20 Unique 4.96, 4.96 A) &rst ixpk= 602, nxpk= 20, iat= 881, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 59 ASP HB3 60 LEU HA 6.00 (# 603:20 Unique 4.04, 4.04 A) &rst ixpk= 603, nxpk= 20, iat= 882, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:604 57 LEU HA 6.00 (# 604:20 Single Ambig) &rst ixpk= 604, nxpk= 20, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 169, 811, 173, &end # # 60 LEU HB3 60 LEU HA 4.00 (# 605:20 Unique 2.99, 2.99 A) &rst ixpk= 605, nxpk= 20, iat= 894, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:606 60 LEU HA 5.00 (# 606:20 Single Ambig) &rst ixpk= 606, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 896,1205,1211, 934, 912, &end # # 0 AMB 20-2:607 60 LEU HA 3.00 (# 607:20 Single Ambig) &rst ixpk= 607, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr1= 893, 896, &end # # 0 AMB 20-2:608 60 LEU HA 6.00 (# 608:20 Single Ambig) &rst ixpk= 608, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 896, 970,1211, 934, 935, &end # # 0 AMB 20-2:609 60 LEU HA 5.00 (# 609:20 Single Ambig) &rst ixpk= 609, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 896, 959, 957, 958,1211, &end # # 0 AMB 20-2:610 60 LEU HA 3.50 (# 610:20 Single Ambig #released3.0to3.5on0926) &rst ixpk= 610, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 896,1211, 243, 975, 242, &end # # 0 AMB 20-2:611 60 LEU HA 4.00 (# 611:20 Single Ambig) &rst ixpk= 611, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1215,1214,1216, &end # # 0 AMB 20-2:612 60 LEU HA 6.00 (# 612:20 Single Ambig) &rst ixpk= 612, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1211,1162, 261,1164, 262, &end # # 83 ASN HA 0 AMB 20-1:613 6.00 (# 613:20 Single Ambig) &rst ixpk= 613, nxpk= 20, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1265,1266, &end # # 82 SER HB3 82 SER HB2 6.00 (# 614:20 Unique 1.75, 1.75 A) &rst ixpk= 614, nxpk= 20, iat=1266,1265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 82 SER HB3 82 SER HB2 4.00 (# 615:20 Unique 1.75, 1.75 A) &rst ixpk= 615, nxpk= 20, iat=1266,1265, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 83 ASN HB3 0 AMB 20-1:616 6.00 (# 616:20 Single Ambig) &rst ixpk= 616, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1265,1266, &end # # 83 ASN HB2 0 AMB 20-1:617 6.00 (# 617:20 Single Ambig) &rst ixpk= 617, nxpk= 20, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1265,1266, &end # # 0 AMB 20-2:618 0 AMB 20-1:618 5.00 (# 618:20 Double Ambig) &rst ixpk= 618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1205,1244,1211, igr2=1266,1265, &end # # 0 AMB 20-2:619 0 AMB 20-1:619 6.00 (# 619:20 Double Ambig) &rst ixpk= 619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1249,1211, igr2=1266,1265, &end # # 0 AMB 20-2:620 0 AMB 20-1:620 6.00 (# 620:20 Double Ambig) &rst ixpk= 620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 835, 836, 837, igr2=1266,1265, &end # # 0 AMB 20-2:621 0 AMB 20-1:621 6.00 (# 621:20 Double Ambig) &rst ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1=1326,1328,1327,1212, igr2=1265,1266, &end # # 0 AMB 20-2:622 0 AMB 20-1:622 6.00 (# 622:20 Double Ambig) &rst ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 787,1211, igr2=1265,1266, &end # # 0 AMB 20-2:623 0 AMB 20-1:623 5.00 (# 623:20 Double Ambig) &rst ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1= 782, 784,1208, 783,1207, igr2=1265,1266, &end # # 0 AMB 20-2:624 0 AMB 20-1:624 6.00 (# 624:20 Double Ambig) &rst ixpk= 624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1211,1215, igr2=1265,1266, &end # # 0 AMB 20-2:628 64 LEU HA 6.00 (# 628:20 Single Ambig) &rst ixpk= 628, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1072,1071,1142, &end # # 0 AMB 20-2:629 64 LEU HA 6.00 (# 629:20 Single Ambig) &rst ixpk= 629, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1072,1071, &end # # 0 AMB 20-2:630 64 LEU HA 5.00 (# 630:20 Single Ambig) &rst ixpk= 630, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1156,1143,1072,1071, 894, 405, &end # # 64 LEU HB2 64 LEU HA 4.00 (# 631:20 Unique 2.49, 2.49 A) &rst ixpk= 631, nxpk= 20, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:632 64 LEU HA 4.00 (# 632:20 Single Ambig) &rst ixpk= 632, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 972, 896,1072, &end # # 0 AMB 20-2:633 64 LEU HA 4.00 (# 633:20 Single Ambig) &rst ixpk= 633, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 239, 896, 991,1072,1071, &end # # 0 AMB 20-2:634 64 LEU HA 4.00 (# 634:20 Single Ambig) &rst ixpk= 634, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 970, 327, 326, &end # # 0 AMB 20-2:635 64 LEU HA 5.00 (# 635:20 Single Ambig) &rst ixpk= 635, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 957, 958, 959, 338, &end # # 0 AMB 20-2:636 64 LEU HA 3.00 (# 636:20 Single Ambig) &rst ixpk= 636, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 974, 975, 976, &end # # 0 AMB 20-2:637 64 LEU HA 6.00 (# 637:20 Single Ambig) &rst ixpk= 637, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1162,1164, 261,1163, &end # # 63 THR HB 63 THR HA 3.50 (# 648:20 Unique 3.00, 3.00 A) &rst ixpk= 648, nxpk= 20, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:649 63 THR HA 6.00 (# 649:20 Single Ambig) &rst ixpk= 649, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 937, 938,1018, &end # # 0 AMB 20-2:650 63 THR HA 6.00 (# 650:20 Single Ambig) &rst ixpk= 650, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 882,1074,1075, &end # # 0 AMB 20-2:651 63 THR HA 5.00 (# 651:20 Single Ambig) &rst ixpk= 651, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1072,1074,1142,1071,1075, &end # # 0 AMB 20-2:652 63 THR HA 6.00 (# 652:20 Single Ambig) &rst ixpk= 652, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1072,1074,1071,1075, &end # # 0 AMB 20-2:653 63 THR HA 6.00 (# 653:20 Single Ambig) &rst ixpk= 653, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1139,1072,1074,1071,1075, &end # # 0 AMB 20-2:654 63 THR HA 5.00 (# 654:20 Single Ambig) &rst ixpk= 654, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1072,1074,1071, 896,1140,1075, &end # # 0 AMB 20-2:655 63 THR HA 5.00 (# 655:20 Single Ambig) &rst ixpk= 655, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1143,1072,1074,1071,1075, &end # # 0 AMB 20-2:656 63 THR HA 5.00 (# 656:20 Single Ambig) &rst ixpk= 656, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 935, 934, 932,1072,1074, &end # # 0 AMB 20-2:657 63 THR HA 6.00 (# 657:20 Single Ambig) &rst ixpk= 657, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 935, 934,1072,1074,1071, &end # # 0 AMB 20-2:658 63 THR HA 5.00 (# 658:20 Single Ambig) &rst ixpk= 658, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 935, 934,1072, &end # # 0 AMB 20-2:659 63 THR HA 3.50 (# 659:20 Single Ambig) &rst ixpk= 659, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 958, 957, 935, 959, &end # # 0 AMB 20-2:660 63 THR HA 6.00 (# 660:20 Single Ambig) &rst ixpk= 660, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1= 243, 975, 974, 896,1211, 242, 241, &end # # 0 AMB 20-2:661 63 THR HA 6.00 (# 661:20 Single Ambig) &rst ixpk= 661, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1159, 247, 896,1211,1160,1158, &end # # 0 AMB 20-2:662 63 THR HA 6.00 (# 662:20 Single Ambig) &rst ixpk= 662, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1215,1214,1216, &end # # 0 AMB 20-2:663 63 THR HA 6.00 (# 663:20 Single Ambig) &rst ixpk= 663, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1162,1163,1164,1211, &end # # 0 AMB 20-2:664 63 THR HA 6.50 (# 664:20 Single Ambig #spindiff?0619) &rst ixpk= 664, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr1= 978,1209, 979,1211, &end # # 103 PRO HA 104 GLY HA2 6.00 (# 665:20 Unique 4.74, 4.74 A) &rst ixpk= 665, nxpk= 20, iat=1609,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:666 104 GLY HA2 6.00 (# 666:20 Single Ambig) &rst ixpk= 666, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1606,1604, &end # # 0 AMB 20-2:667 104 GLY HA2 6.00 (# 667:20 Single Ambig) &rst ixpk= 667, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1606,1603,1604,1633, &end # # 0 AMB 20-2:668 104 GLY HA2 5.50 (# 668:20 Single Ambig #released5to5.5on1016) &rst ixpk= 668, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1606,1607,1604, &end # # 59 ASP HB2 55 SER HB2 6.00 (# 670:20 Unique 4.94, 4.94 A) &rst ixpk= 670, nxpk= 20, iat= 881, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 48 PRO HB2 55 SER HB2 6.00 (# 671:20 Unique 6.73, 6.73 A) &rst ixpk= 671, nxpk= 20, iat= 720, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 GLN HB2 55 SER HB2 5.00 (# 673:20 Unique 6.44, 6.44 A) &rst ixpk= 673, nxpk= 20, iat= 864, 824, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:675 55 SER HB2 6.00 (# 675:20 Single Ambig) &rst ixpk= 675, nxpk= 20, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 718,1211, 814, &end # # 0 AMB 20-2:676 55 SER HB2 6.00 (# 676:20 Single Ambig) &rst ixpk= 676, nxpk= 20, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 846,1211, 845, &end # # 0 AMB 20-2:677 55 SER HB2 6.00 (# 677:20 Single Ambig) &rst ixpk= 677, nxpk= 20, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 835, 836, 837,1211, &end # # 0 AMB 20-2:678 55 SER HB2 6.00 (# 678:20 Single Ambig) &rst ixpk= 678, nxpk= 20, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1208,1211, 855,1209, &end # # 0 AMB 20-2:692 84 PRO HD2 5.00 (# 692:20 Single Ambig) &rst ixpk= 692, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1290,1291, &end # # 0 AMB 20-2:693 84 PRO HD2 5.00 (# 693:20 Single Ambig) &rst ixpk= 693, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1290,1291, &end # # 0 AMB 20-2:711 0 AMB 20-1:711 6.00 (# 711:20 Double Ambig) &rst ixpk= 711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1=1170,1414,1203,1266, igr2=1222,1436, &end # # 0 AMB 20-2:712 0 AMB 20-1:712 4.00 (# 712:20 Double Ambig) &rst ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1441,1442,1344, igr2=1436,1222, &end # # 0 AMB 20-2:713 93 GLN HA 3.00 (# 713:20 Single Ambig) &rst ixpk= 713, nxpk= 20, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1=1438,1439,1441,1442, &end # # 0 AMB 20-2:714 61 LEU HA 3.50 (# 714:20 Single Ambig) &rst ixpk= 714, nxpk= 20, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 915, 236, 896, &end # # 0 AMB 20-2:715 61 LEU HA 5.00 (# 715:20 Single Ambig) &rst ixpk= 715, nxpk= 20, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 915, 239, 896, 991, &end # # 0 AMB 20-2:716 61 LEU HA 5.00 (# 716:20 Single Ambig) &rst ixpk= 716, nxpk= 20, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 915, 992, 896, &end # # 0 AMB 20-2:717 0 AMB 20-1:717 3.50 (# 717:20 Double Ambig) &rst ixpk= 717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1420,1181,1211, 409,1183, igr2=1436,1222, &end # # 0 AMB 20-2:718 80 LEU HA 5.00 (# 718:20 Single Ambig) &rst ixpk= 718, nxpk= 20, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1338,1266,1265, 891, &end # # 0 AMB 20-2:719 80 LEU HA 6.00 (# 719:20 Single Ambig) &rst ixpk= 719, nxpk= 20, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1344,1277, &end # # 0 AMB 20-2:720 80 LEU HA 6.00 (# 720:20 Single Ambig) &rst ixpk= 720, nxpk= 20, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1343,1344,1341, &end # # 0 AMB 20-2:721 80 LEU HA 4.00 (# 721:20 Single Ambig) &rst ixpk= 721, nxpk= 20, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1344,1341, 896, 258,1243,1211,1347, &end # # 0 AMB 20-2:722 80 LEU HA 4.00 (# 722:20 Single Ambig) &rst ixpk= 722, nxpk= 20, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1227,1224,1322, &end # # 80 LEU HB3 80 LEU HA 5.00 (# 723:20 Unique 2.56, 2.56 A) &rst ixpk= 723, nxpk= 20, iat=1225,1222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:725 80 LEU HA 4.00 (# 725:20 Single Ambig) &rst ixpk= 725, nxpk= 20, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1230,1229,1231, &end # # 0 AMB 20-2:726 80 LEU HA 5.00 (# 726:20 Single Ambig) &rst ixpk= 726, nxpk= 20, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1234,1233, &end # # 0 AMB 20-2:727 55 SER HB3 6.00 (# 727:20 Single Ambig) &rst ixpk= 727, nxpk= 20, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 720, 810, 811, &end # # 0 AMB 20-2:728 55 SER HB3 6.00 (# 728:20 Single Ambig) &rst ixpk= 728, nxpk= 20, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 810, 811, &end # # 0 AMB 20-2:729 55 SER HB3 5.00 (# 729:20 Single Ambig) &rst ixpk= 729, nxpk= 20, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 864, 810, 811, &end # # 0 AMB 20-2:730 55 SER HB3 5.00 (# 730:20 Single Ambig) &rst ixpk= 730, nxpk= 20, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 810, 811, &end # # 0 AMB 20-2:731 55 SER HB3 6.00 (# 731:20 Single Ambig) &rst ixpk= 731, nxpk= 20, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 718, 814, 810, 811, &end # # 0 AMB 20-2:732 55 SER HB3 6.00 (# 732:20 Single Ambig) &rst ixpk= 732, nxpk= 20, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 835, 836, 810, 837, 811, &end # # 0 AMB 20-2:734 0 AMB 20-1:734 6.00 (# 734:20 Double Ambig) &rst ixpk= 734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 810, 811, igr2= 770, 769, &end # # 0 AMB 20-2:735 0 AMB 20-1:735 6.00 (# 735:20 Double Ambig) &rst ixpk= 735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 73, 810, 811, 746, igr2= 769, 770, &end # # 0 AMB 20-2:736 0 AMB 20-1:736 5.00 (# 736:20 Double Ambig) &rst ixpk= 736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 810, 811, 746, 70, igr2= 770, 769, &end # # 0 AMB 20-2:737 0 AMB 20-1:737 5.00 (# 737:20 Double Ambig) &rst ixpk= 737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1= 8, 810, 811, 746, 749, igr2= 770, 769, &end # # 0 AMB 20-2:738 0 AMB 20-1:738 6.00 (# 738:20 Double Ambig) &rst ixpk= 738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02, igr1= 810, 811, 746, 749, 71, 748, 745, 122, igr2= 770, 769, &end # # 0 AMB 20-2:739 0 AMB 20-1:739 6.00 (# 739:20 Double Ambig) &rst ixpk= 739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81, igr1= 810, 811, 746, 749, 748, 745, 122, igr2= 770, 769, &end # # 0 AMB 20-2:740 0 AMB 20-1:740 5.00 (# 740:20 Double Ambig) &rst ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 810, 811, 746,1246, 749, 748, 786, 745, igr2= 770,1266, 769, &end # # 0 AMB 20-2:741 0 AMB 20-1:741 6.00 (# 741:20 Double Ambig) &rst ixpk= 741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 810, 811, 746, 749, 748, 745, igr2= 770, 769, &end # # 0 AMB 20-2:742 0 AMB 20-1:742 5.00 (# 742:20 Single Ambig) &rst ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 850, 851, 852, 854, 855, 856,1326,1327,1328,1330, 1331,1332, igr2= 769, 770, &end # # 0 AMB 20-2:743 0 AMB 20-1:743 5.00 (# 743:20 Double Ambig) &rst ixpk= 743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1= 790, 130, 791, 789, 128, igr2= 770, 769, &end # # 98 TYR HD2 95 THR HA 5.00 (# 744:20 Unique 2.49, 2.49 A) &rst ixpk= 744, nxpk= 20, iat=1538,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:745 95 THR HA 6.00 (# 745:20 Single Ambig) &rst ixpk= 745, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1536,1531, &end # # 0 AMB 20-2:746 95 THR HA 5.00 (# 746:20 Single Ambig) &rst ixpk= 746, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 632,1523, &end # # 95 THR HB 95 THR HA 5.00 (# 747:20 Unique 2.28, 2.28 A) &rst ixpk= 747, nxpk= 20, iat=1479,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 98 TYR HB2 95 THR HA 6.00 (# 748:20 Unique 2.37, 2.37 A) &rst ixpk= 748, nxpk= 20, iat=1525,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:749 95 THR HA 6.00 (# 749:20 Single Ambig) &rst ixpk= 749, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1526,1425, &end # # 0 AMB 20-2:750 95 THR HA 6.00 (# 750:20 Single Ambig) &rst ixpk= 750, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1504,1422, 516,1423, &end # # 0 AMB 20-2:751 95 THR HA 6.00 (# 751:20 Single Ambig) &rst ixpk= 751, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1456, 496,1504,1420,1422,1503, &end # # 0 AMB 20-2:752 95 THR HA 6.00 (# 752:20 Single Ambig) &rst ixpk= 752, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1504,1420,1493,1494,1422,1458,1495, 516,1419, &end # # 0 AMB 20-2:753 95 THR HA 4.00 (# 753:20 Single Ambig) &rst ixpk= 753, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1481,1482,1483, 502, &end # # 0 AMB 20-2:754 95 THR HA 6.00 (# 754:20 Single Ambig) &rst ixpk= 754, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1=1550,1420, 506,1549, 507,1548, 505, &end # # 0 AMB 20-2:755 95 THR HA 4.00 (# 755:20 Single Ambig) &rst ixpk= 755, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 571, 570, 569, 654, 655,1420, &end # # 0 AMB 20-2:756 95 THR HA 5.00 (# 756:20 Single Ambig) &rst ixpk= 756, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 500, 499, 498, &end # # 0 AMB 20-2:757 90 PHE HA 6.00 (# 757:20 Single Ambig) &rst ixpk= 757, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1383,1387,1385, &end # # 90 PHE HD1 90 PHE HA 5.00 (# 758:20 Unique 2.54, 2.54 A) &rst ixpk= 758, nxpk= 20, iat=1381,1375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:759 90 PHE HA 5.50 (# 759:20 Single Ambig #5to5.5on1015weak) &rst ixpk= 759, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 253,1453, 184, &end # # 0 AMB 20-2:760 90 PHE HA 4.00 (# 760:20 Single Ambig) &rst ixpk= 760, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 206,1378, &end # # 90 PHE HB2 90 PHE HA 4.00 (# 761:20 Unique 2.32, 2.32 A) &rst ixpk= 761, nxpk= 20, iat=1377,1375, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:762 90 PHE HA 6.00 (# 762:20 Single Ambig) &rst ixpk= 762, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1442,1441, &end # # 0 AMB 20-2:763 90 PHE HA 6.00 (# 763:20 Single Ambig) &rst ixpk= 763, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1442,1441,1416, &end # # 0 AMB 20-2:764 90 PHE HA 5.00 (# 764:20 Single Ambig) &rst ixpk= 764, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 258,1442,1441,1455,1397, &end # # 0 AMB 20-2:765 90 PHE HA 5.00 (# 765:20 Single Ambig) &rst ixpk= 765, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 258,1442,1441, &end # # 17 LEU HG 90 PHE HA 6.00 (# 766:20 Unique 3.70, 3.70 A) &rst ixpk= 766, nxpk= 20, iat= 258,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:767 90 PHE HA 5.00 (# 767:20 Single Ambig) &rst ixpk= 767, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 258,1368,1369,1367, &end # # 0 AMB 20-2:768 90 PHE HA 4.00 (# 768:20 Single Ambig) &rst ixpk= 768, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=1331,1330, 145,1332, 143, 980, 144,1399,1400, 979, &end # # 0 AMB 20-2:769 90 PHE HA 4.50 (# 769:20 Single Ambig #bintootight0703-releasedfrom4to4.5) &rst ixpk= 769, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 265, 264, 266, &end # # 0 AMB 20-2:770 90 PHE HA 6.00 (# 770:20 Single Ambig Spindiff?0614) &rst ixpk= 770, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1231,1230,1229, &end # # 0 AMB 20-2:771 90 PHE HA 6.00 (# 771:20 Single Ambig) &rst ixpk= 771, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1235,1233,1234, &end # # 69 SER HA 68 SER HB3 6.00 (# 772:20 Unique 6.17, 6.17 A) &rst ixpk= 772, nxpk= 20, iat=1044,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 71 GLN HB2 68 SER HB3 6.00 (# 774:20 Unique 7.96, 7.96 A) &rst ixpk= 774, nxpk= 20, iat=1071,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:775 68 SER HB3 6.00 (# 775:20 Single Ambig) &rst ixpk= 775, nxpk= 20, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1024,1071, &end # # 0 AMB 20-2:776 68 SER HB3 6.00 (# 776:20 Single Ambig) &rst ixpk= 776, nxpk= 20, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1021,1022,1071, &end # # 0 AMB 20-2:777 68 SER HB3 6.00 (# 777:20 Single Ambig) &rst ixpk= 777, nxpk= 20, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 376,1071, &end # # 0 AMB 20-2:778 68 SER HB3 6.00 (# 778:20 Single Ambig) &rst ixpk= 778, nxpk= 20, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 356,1071, &end # # 0 AMB 20-2:779 68 SER HB3 6.00 (# 779:20 Single Ambig) &rst ixpk= 779, nxpk= 20, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 337, 339, 338, &end # # 25 LEU HD21 68 SER HB3 6.00 (# 780:20 Unique 7.57, 7.57 A) &rst ixpk= 780, nxpk= 20, iat= 365,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 102 GLN HA 103 PRO HD2 3.50 (# 781:20 Unique 2.70, 2.70 A) &rst ixpk= 781, nxpk= 20, iat=1584,1600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 103 PRO HA 103 PRO HD2 6.00 (# 782:20 Unique 4.02, 4.02 A) &rst ixpk= 782, nxpk= 20, iat=1609,1600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:783 103 PRO HD2 6.00 (# 783:20 Single Ambig) &rst ixpk= 783, nxpk= 20, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1606,1572, &end # # 0 AMB 20-2:784 0 AMB 20-1:784 5.00 (# 784:20 Double Ambig) &rst ixpk= 784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1604,1024,1606, igr2=1600,1018, &end # # 0 AMB 20-2:785 103 PRO HD2 5.00 (# 785:20 Single Ambig) &rst ixpk= 785, nxpk= 20, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1604,1606, &end # # 0 AMB 20-2:786 103 PRO HD2 3.50 (# 786:20 Single Ambig) &rst ixpk= 786, nxpk= 20, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1603,1604, &end # # 0 AMB 20-2:787 103 PRO HD2 3.00 (# 787:20 Single Ambig) &rst ixpk= 787, nxpk= 20, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr1=1604,1606, &end # # 0 AMB 20-2:789 77 LEU HA 6.00 (# 789:20 Single Ambig) &rst ixpk= 789, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1189, 203, &end # # 80 LEU HA 77 LEU HA 5.00 (# 790:20 Unique 4.73, 4.73 A) &rst ixpk= 790, nxpk= 20, iat=1222,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 87 MET HG3 77 LEU HA 6.00 (# 791:20 Unique 4.17, 4.17 A) &rst ixpk= 791, nxpk= 20, iat=1344,1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:792 77 LEU HA 6.00 (# 792:20 Single Ambig) &rst ixpk= 792, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1156,1344,1122,1123, 405, &end # # 0 AMB 20-2:793 77 LEU HA 5.00 (# 793:20 Single Ambig) &rst ixpk= 793, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1175,1344,1348,1347,1122,1349, 258,1123, &end # # 0 AMB 20-2:794 77 LEU HA 4.00 (# 794:20 Single Ambig) &rst ixpk= 794, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1224,1172, &end # # 0 AMB 20-2:795 77 LEU HA 4.00 (# 795:20 Single Ambig) &rst ixpk= 795, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1=1175,1344,1122, 258,1123, &end # # 0 AMB 20-2:796 77 LEU HA 5.00 (# 796:20 Single Ambig) &rst ixpk= 796, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1175,1122, 258,1123,1246,1341, &end # # 0 AMB 20-2:797 77 LEU HA 5.00 (# 797:20 Single Ambig) &rst ixpk= 797, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1173,1175, &end # # 0 AMB 20-2:798 77 LEU HA 5.00 (# 798:20 Single Ambig) &rst ixpk= 798, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1225,1175, &end # # 0 AMB 20-2:799 77 LEU HA 5.00 (# 799:20 Single Ambig) &rst ixpk= 799, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 414, 415, 416, &end # # 0 AMB 20-2:800 77 LEU HA 3.50 (# 800:20 Single Ambig) &rst ixpk= 800, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1181,1182,1183, 409, 408, &end # # 0 AMB 20-2:801 77 LEU HA 5.00 (# 801:20 Single Ambig) &rst ixpk= 801, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1163,1164,1162, &end # # 0 AMB 20-2:802 77 LEU HA 5.00 (# 802:20 Single Ambig) &rst ixpk= 802, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1229,1230, &end # # 0 AMB 20-2:803 77 LEU HA 4.00 (# 803:20 Single Ambig) &rst ixpk= 803, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1233,1234,1235, &end # # 0 AMB 20-2:804 77 LEU HA 5.00 (# 804:20 Single Ambig) &rst ixpk= 804, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1178,1177,1175,1179, &end # # 82 SER HA 79 ILE HA 6.00 (# 819:20 Unique 5.64, 5.64 A) &rst ixpk= 819, nxpk= 20, iat=1263,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:820 79 ILE HA 6.00 (# 820:20 Single Ambig) &rst ixpk= 820, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1266,1189, &end # # 0 AMB 20-2:821 79 ILE HA 4.00 (# 821:20 Single Ambig) &rst ixpk= 821, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1266,1265, 891, &end # # 0 AMB 20-2:822 79 ILE HA 6.00 (# 822:20 Single Ambig) &rst ixpk= 822, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1266,1222, &end # # 0 AMB 20-2:823 79 ILE HA 6.00 (# 823:20 Single Ambig) &rst ixpk= 823, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1266,1154, &end # # 78 ASN HB3 79 ILE HA 6.00 (# 824:20 Unique 4.53, 4.53 A) &rst ixpk= 824, nxpk= 20, iat=1192,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:825 79 ILE HA 6.00 (# 825:20 Single Ambig) &rst ixpk= 825, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 881,1191, &end # # 59 ASP HB3 79 ILE HA 6.00 (# 826:20 Unique 5.07, 5.07 A) &rst ixpk= 826, nxpk= 20, iat= 882,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:827 79 ILE HA 6.50 (# 827:20 Single Ambig releasedon0920to6.5from6.0) &rst ixpk= 827, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr1= 894,1156, &end # # 0 AMB 20-2:828 79 ILE HA 3.50 (# 828:20 Single Ambig) &rst ixpk= 828, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1211,1205, &end # # 79 ILE HG12 79 ILE HA 6.00 (# 829:20 Unique 2.56, 2.56 A) &rst ixpk= 829, nxpk= 20, iat=1211,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:830 79 ILE HA 6.00 (# 830:20 Single Ambig) &rst ixpk= 830, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1211, 837, 835, &end # # 0 AMB 20-2:831 79 ILE HA 4.00 (# 831:20 Single Ambig) &rst ixpk= 831, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1211,1212, &end # # 0 AMB 20-2:832 79 ILE HA 3.50 (# 832:20 Single Ambig) &rst ixpk= 832, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1208,1211,1207, &end # # 0 AMB 20-2:833 79 ILE HA 4.00 (# 833:20 Single Ambig) &rst ixpk= 833, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1211,1215,1214, &end # # 79 ILE HG12 79 ILE HA 6.00 (# 834:20 Unique 2.56, 2.56 A) &rst ixpk= 834, nxpk= 20, iat=1211,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 79 ILE HG12 79 ILE HA 6.00 (# 835:20 Unique 2.56, 2.56 A) &rst ixpk= 835, nxpk= 20, iat=1211,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 102 GLN HA 103 PRO HD3 4.00 (# 836:20 Unique 3.61, 3.61 A) &rst ixpk= 836, nxpk= 20, iat=1584,1601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 103 PRO HA 103 PRO HD3 5.00 (# 837:20 Unique 3.41, 3.41 A) &rst ixpk= 837, nxpk= 20, iat=1609,1601, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:838 0 AMB 20-1:838 5.00 (# 838:20 Double Ambig) &rst ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1604,1606,1024, igr2=1601,1018, &end # # 0 AMB 20-2:839 103 PRO HD3 5.00 (# 839:20 Single Ambig) &rst ixpk= 839, nxpk= 20, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1604,1606, &end # # 0 AMB 20-2:840 103 PRO HD3 4.00 (# 840:20 Single Ambig) &rst ixpk= 840, nxpk= 20, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1604,1607, &end # # 0 AMB 20-2:841 103 PRO HD3 3.00 (# 841:20 Single Ambig) &rst ixpk= 841, nxpk= 20, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr1=1604,1603, &end # # 0 AMB 20-2:842 91 ILE HA 6.00 (# 842:20 Single Ambig) &rst ixpk= 842, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1383,1387,1385, &end # # 0 AMB 20-2:843 91 ILE HA 5.00 (# 843:20 Single Ambig) &rst ixpk= 843, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1381,1389, &end # # 0 AMB 20-2:844 91 ILE HA 6.00 (# 844:20 Single Ambig) &rst ixpk= 844, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 422, 468, 272, &end # # 88 ALA HA 91 ILE HA 6.50 (# 845:20 Unique 5.13, 5.13 A) &rst ixpk= 845, nxpk= 20, iat=1355,1395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 0 AMB 20-2:846 91 ILE HA 6.00 (# 846:20 Single Ambig) &rst ixpk= 846, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1377,1426,1425,1344, &end # # 0 AMB 20-2:847 91 ILE HA 6.00 (# 847:20 Single Ambig) &rst ixpk= 847, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1343,1462,1426,1425,1341,1344, &end # # 0 AMB 20-2:848 91 ILE HA 6.50 (# 848:20 Single Ambig #possspindiff) &rst ixpk= 848, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr1= 424,1341,1344, &end # # 0 AMB 20-2:849 91 ILE HA 4.00 (# 849:20 Single Ambig) &rst ixpk= 849, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1403,1455, &end # # 0 AMB 20-2:850 91 ILE HA 5.00 (# 850:20 Single Ambig) &rst ixpk= 850, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1=1456,1422, 496, 258,1423,1420,1419, &end # # 0 AMB 20-2:851 91 ILE HA 5.00 (# 851:20 Single Ambig) &rst ixpk= 851, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1458,1422, 258,1423,1420,1359,1419,1368,1357, &end # # 0 AMB 20-2:852 91 ILE HA 5.00 (# 852:20 Single Ambig) &rst ixpk= 852, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1= 502,1422,1482, 258,1423,1481,1483, &end # # 0 AMB 20-2:853 91 ILE HA 4.00 (# 853:20 Single Ambig) &rst ixpk= 853, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 507, 506, &end # # 0 AMB 20-2:854 91 ILE HA 4.00 (# 854:20 Single Ambig) &rst ixpk= 854, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1407,1406,1408, 258, &end # # 0 AMB 20-2:855 91 ILE HA 4.00 (# 855:20 Single Ambig) &rst ixpk= 855, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1400,1399,1401, &end # # 0 AMB 20-2:856 91 ILE HA 5.00 (# 856:20 Single Ambig) &rst ixpk= 856, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 475, 476, 477, &end # # 0 AMB 20-2:857 91 ILE HA 6.00 (# 857:20 Single Ambig) &rst ixpk= 857, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 500, 499, 498, 265, &end # # 0 AMB 20-2:858 91 ILE HA 6.00 (# 858:20 Single Ambig) &rst ixpk= 858, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1453,1338, &end # # 0 AMB 20-2:859 91 ILE HA 6.00 (# 859:20 Single Ambig) &rst ixpk= 859, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1375, 275,1477, &end # # 0 AMB 20-2:860 90 PHE HB3 6.00 (# 860:20 Single Ambig) &rst ixpk= 860, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1387,1383,1385, &end # # 0 AMB 20-2:861 90 PHE HB3 5.00 (# 861:20 Single Ambig) &rst ixpk= 861, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1389,1381, &end # # 90 PHE HA 90 PHE HB3 5.00 (# 863:20 Unique 2.98, 2.98 A) &rst ixpk= 863, nxpk= 20, iat=1375,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:864 90 PHE HB3 6.00 (# 864:20 Single Ambig) &rst ixpk= 864, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 258,1397,1347,1341,1344, &end # # 0 AMB 20-2:865 90 PHE HB3 6.00 (# 865:20 Single Ambig) &rst ixpk= 865, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 258,1368,1341,1369,1367,1358, &end # # 0 AMB 20-2:866 90 PHE HB3 6.00 (# 866:20 Single Ambig) &rst ixpk= 866, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1341,1344,1442, &end # # 0 AMB 20-2:867 90 PHE HB3 6.00 (# 867:20 Single Ambig) &rst ixpk= 867, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 258, 255,1341,1344, &end # # 0 AMB 20-2:868 90 PHE HB3 5.00 (# 868:20 Single Ambig) &rst ixpk= 868, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 258,1406,1408, &end # # 0 AMB 20-2:869 90 PHE HB3 5.00 (# 869:20 Single Ambig) &rst ixpk= 869, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1330,1331,1332, 145, 144,1399,1400, 143, &end # # 0 AMB 20-2:870 90 PHE HB3 6.00 (# 870:20 Single Ambig) &rst ixpk= 870, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr1= 477, 476, 475, 481, 479, 407, 409, &end # # 0 AMB 20-2:871 90 PHE HB3 6.00 (# 871:20 Single Ambig) &rst ixpk= 871, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 265, 266, 264, &end # # 0 AMB 20-2:872 90 PHE HB3 5.00 (# 872:20 Single Ambig) &rst ixpk= 872, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1230,1231,1229, &end # # 0 AMB 20-2:873 90 PHE HB3 6.00 (# 873:20 Single Ambig) &rst ixpk= 873, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1233,1235,1234, &end # # 0 AMB 20-2:874 76 VAL HA 6.00 (# 874:20 Single Ambig) &rst ixpk= 874, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 955,1137, &end # # 0 AMB 20-2:875 76 VAL HA 5.00 (# 875:20 Single Ambig) &rst ixpk= 875, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 891, 347, 967, 953, &end # # 0 AMB 20-2:877 76 VAL HA 6.00 (# 877:20 Single Ambig) &rst ixpk= 877, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1142,1122,1072, &end # # 0 AMB 20-2:878 76 VAL HA 6.00 (# 878:20 Single Ambig) &rst ixpk= 878, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1122,1072, &end # # 76 VAL HB 76 VAL HA 4.00 (# 879:20 Unique 2.98, 2.98 A) &rst ixpk= 879, nxpk= 20, iat=1156,1154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:880 76 VAL HA 5.00 (# 880:20 Single Ambig) &rst ixpk= 880, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 896,1140,1122, 258,1072,1175, &end # # 0 AMB 20-2:881 76 VAL HA 4.00 (# 881:20 Single Ambig) &rst ixpk= 881, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1205,1211, 896, &end # # 0 AMB 20-2:882 76 VAL HA 5.00 (# 882:20 Single Ambig) &rst ixpk= 882, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1=1211, 896, 893,1122, 258,1072, 239, &end # # 0 AMB 20-2:883 76 VAL HA 5.00 (# 883:20 Single Ambig) &rst ixpk= 883, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 959, 957, 958, &end # # 0 AMB 20-2:884 76 VAL HA 5.00 (# 884:20 Single Ambig) &rst ixpk= 884, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96, igr1= 978, 416, 975, 414,1211, 896, 980, 415, 979, 974, 976, &end # # 0 AMB 20-2:885 76 VAL HA 4.00 (# 885:20 Single Ambig) &rst ixpk= 885, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1159,1158,1160, &end # # 0 AMB 20-2:886 76 VAL HA 4.00 (# 886:20 Single Ambig) &rst ixpk= 886, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1214,1215,1216,1211, &end # # 0 AMB 20-2:887 76 VAL HA 4.00 (# 887:20 Single Ambig) &rst ixpk= 887, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1162,1163,1164, &end # # 0 AMB 20-2:888 76 VAL HA 5.00 (# 888:20 Single Ambig) &rst ixpk= 888, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1229,1231,1211,1230, &end # # 0 AMB 20-2:889 76 VAL HA 6.00 (# 889:20 Single Ambig) &rst ixpk= 889, nxpk= 20, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1235,1234,1233, &end # # 0 AMB 20-2:890 0 AMB 20-1:890 6.00 (# 890:20 Double Ambig) &rst ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 879, 354, igr2= 959, 958, 957, &end # # 63 THR HB 0 AMB 20-1:891 3.00 (# 891:20 Single Ambig) &rst ixpk= 891, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 959, 957, 958, &end # # 0 AMB 20-2:892 0 AMB 20-1:892 3.00 (# 892:20 Double Ambig) &rst ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 953, 347, igr2= 958, 957, 959, &end # # 79 ILE HA 0 AMB 20-1:893 6.50 (# 893:20 Single Ambig #releasedfrom5.5spindiff?0616upto6.5on622) &rst ixpk= 893, nxpk= 20, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr2= 959, 958, &end # # 76 VAL HA 0 AMB 20-1:894 5.00 (# 894:20 Single Ambig) &rst ixpk= 894, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 959, 957, 958, &end # # 78 ASN HB3 0 AMB 20-1:895 6.00 (# 895:20 Single Ambig) &rst ixpk= 895, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 959, 958, 957, &end # # 0 AMB 20-2:896 0 AMB 20-1:896 6.00 (# 896:20 Double Ambig) &rst ixpk= 896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1=1074, 881,1191,1075, igr2= 958, 959, 957, &end # # 0 AMB 20-2:897 0 AMB 20-1:897 5.00 (# 897:20 Double Ambig) &rst ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 882,1074,1075, igr2= 959, 958, 957, &end # # 0 AMB 20-2:898 0 AMB 20-1:898 4.00 (# 898:20 Double Ambig) &rst ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1142,1072,1074,1071, igr2= 958, 957, 959, &end # # 0 AMB 20-2:899 0 AMB 20-1:899 4.00 (# 899:20 Double Ambig) &rst ixpk= 899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1072,1074,1071, igr2= 958, 957, 959, &end # # 0 AMB 20-2:900 0 AMB 20-1:900 4.00 (# 900:20 Double Ambig) &rst ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1139,1072,1074,1071, igr2= 958, 959, 957, &end # # 0 AMB 20-2:901 0 AMB 20-1:901 4.00 (# 901:20 Double Ambig) &rst ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1= 896,1140,1072,1074,1071, igr2= 959, 958, 957, &end # # 0 AMB 20-2:902 0 AMB 20-1:902 5.00 (# 902:20 Double Ambig) &rst ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1=1205, 972, 896,1211,1072, 935,1074,1071, igr2= 959, 957, 958, &end # # 0 AMB 20-2:904 0 AMB 20-1:904 5.00 (# 904:20 Double Ambig) &rst ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31, igr1= 978,1209, 979, 980,1207,1211, 243,1208, 416, 414, igr2= 957, 959, 958, &end # # 0 AMB 20-2:905 0 AMB 20-1:905 4.00 (# 905:20 Double Ambig) &rst ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1159,1160,1158, 896, igr2= 959, 957, 958, &end # # 0 AMB 20-2:906 0 AMB 20-1:906 5.00 (# 906:20 Double Ambig) &rst ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1214,1215,1216, igr2= 959, 958, 957, &end # # 0 AMB 20-2:907 0 AMB 20-1:907 5.00 (# 907:20 Double Ambig) &rst ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1162,1164,1163, igr2= 957, 959, 958, &end # # 0 AMB 20-2:917 0 AMB 20-1:917 5.00 (# 917:20 Double Ambig) &rst ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1383,1385,1387, igr2= 976, 975, 974, &end # # 0 AMB 20-2:918 0 AMB 20-1:918 6.00 (# 918:20 Double Ambig) &rst ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1381,1389, igr2= 976, 975, 974, &end # # 0 AMB 20-2:920 0 AMB 20-1:920 3.50 (# 920:20 Double Ambig #changed1001) &rst ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1120,1338, 891, igr2= 898, 899, 900, 902, 903, 904, &end # # 0 AMB 20-2:921 0 AMB 20-1:921 5.00 (# 921:20 Single Ambig #changed1001) &rst ixpk= 921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 910,1222,1375, igr2= 899, 898, 900, 902, 903, 904, &end # # 0 AMB 20-2:922 0 AMB 20-1:922 6.00 (# 922:20 Double Ambig #changed1001) &rst ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, igr1=1203,1170,1263, igr2= 899, 898, 900, 902, 903, 904, &end # # 76 VAL HA 0 AMB 20-1:923 4.50 (# 923:20 Single Ambig #changed1001) &rst ixpk= 923, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 899, 898, 900, 902, 903, 904, &end # # 0 AMB 20-2:928 0 AMB 20-1:928 3.50 (# 928:20 Double Ambig #changed1001) &rst ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1216,1215,1214, igr2= 899, 900, 898, 902, 903, 904, &end # # 0 AMB 20-2:929 0 AMB 20-1:929 4.00 (# 929:20 Double Ambig #changed1001) &rst ixpk= 929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1=1162,1163,1164, igr2= 898, 899, 900, 902, 903, 904, &end # # 0 AMB 20-2:930 0 AMB 20-1:930 5.00 (# 930:20 Double Ambig #changed1001) &rst ixpk= 930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1230,1229,1231, igr2= 899, 900, 898, 902, 903, 904, &end # # 0 AMB 20-2:931 0 AMB 20-1:931 5.00 (# 931:20 Double Ambig #changed1001) &rst ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1233,1234,1235, igr2= 899, 900, 898, 902, 903, 904, &end # # 0 AMB 20-2:932 0 AMB 20-1:932 6.00 (# 932:20 Double Ambig) &rst ixpk= 932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1385,1387,1383, igr2=1160,1158,1159, &end # # 0 AMB 20-2:933 0 AMB 20-1:933 6.00 (# 933:20 Double Ambig) &rst ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 354,1189, igr2=1160,1159,1158, &end # # 0 AMB 20-2:934 0 AMB 20-1:934 4.00 (# 934:20 Double Ambig) &rst ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 955,1137, igr2=1159,1158,1160, &end # # 76 VAL HA 0 AMB 20-1:937 4.00 (# 937:20 Single Ambig) &rst ixpk= 937, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1159,1158,1160, &end # # 0 AMB 20-2:938 0 AMB 20-1:938 6.00 (# 938:20 Double Ambig) &rst ixpk= 938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1142,1344, igr2=1159,1158,1160, &end # # 76 VAL HB 0 AMB 20-1:939 3.00 (# 939:20 Single Ambig) &rst ixpk= 939, nxpk= 20, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2=1158,1160,1159, &end # # 0 AMB 20-2:940 0 AMB 20-1:940 5.00 (# 940:20 Double Ambig) &rst ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 896,1205, 258, 972, igr2=1159,1158,1160, &end # # 0 AMB 20-2:941 0 AMB 20-1:941 5.00 (# 941:20 Double Ambig) &rst ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 896, 258, 893, 239, igr2=1159,1160,1158, &end # # 0 AMB 20-2:942 0 AMB 20-1:942 4.00 (# 942:20 Double Ambig) &rst ixpk= 942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1= 959, 957, 958, 896, 258, igr2=1159,1160,1158, &end # # 0 AMB 20-2:943 0 AMB 20-1:943 4.00 (# 943:20 Double Ambig) &rst ixpk= 943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr1= 409, 407, 408,1181, 481,1182, 477, igr2=1160,1158,1159, &end # # 0 AMB 20-2:944 0 AMB 20-1:944 4.00 (# 944:20 Double Ambig) &rst ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1164,1162,1163, igr2=1160,1159,1158, &end # # 0 AMB 20-2:945 0 AMB 20-1:945 6.00 (# 945:20 Double Ambig) &rst ixpk= 945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1235,1234,1233, igr2=1158,1160,1159, &end # # 98 TYR HD2 0 AMB 20-1:946 6.00 (# 946:20 Single Ambig) &rst ixpk= 946, nxpk= 20, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1549,1550,1548, &end # # 96 ALA HA 0 AMB 20-1:948 4.00 (# 948:20 Single Ambig) &rst ixpk= 948, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1548,1550,1549, &end # # 99 VAL HA 0 AMB 20-1:949 4.00 (# 949:20 Single Ambig) &rst ixpk= 949, nxpk= 20, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1549,1548,1550, &end # # 0 AMB 20-2:950 0 AMB 20-1:950 6.00 (# 950:20 Double Ambig) &rst ixpk= 950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1525,1425, igr2=1549,1550,1548, &end # # 0 AMB 20-2:951 0 AMB 20-1:951 6.00 (# 951:20 Double Ambig) &rst ixpk= 951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1526,1425, igr2=1549,1550,1548, &end # # 0 AMB 20-2:952 0 AMB 20-1:952 6.00 (# 952:20 Double Ambig) &rst ixpk= 952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1606,1604, igr2=1549,1548,1550, &end # # 0 AMB 20-2:953 0 AMB 20-1:953 3.50 (# 953:20 Double Ambig) &rst ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1546,1606, igr2=1550,1548,1549, &end # # 0 AMB 20-2:954 0 AMB 20-1:954 5.00 (# 954:20 Double Ambig) &rst ixpk= 954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1606,1604, igr2=1549,1548,1550, &end # # 0 AMB 20-2:955 0 AMB 20-1:955 4.00 (# 955:20 Double Ambig) &rst ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1606,1483,1481,1482, igr2=1549,1548,1550, &end # # 52 ILE HA 0 AMB 20-1:957 4.00 (# 957:20 Single Ambig) &rst ixpk= 957, nxpk= 20, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 790, 789, &end # # 0 AMB 20-2:958 0 AMB 20-1:958 5.00 (# 958:20 Double Ambig) &rst ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 743,1265, igr2= 790, 791, 789, &end # # 0 AMB 20-2:959 0 AMB 20-1:959 5.00 (# 959:20 Double Ambig) &rst ixpk= 959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 770, 769, igr2= 790, 791, 789, &end # # 0 AMB 20-2:960 0 AMB 20-1:960 6.00 (# 960:20 Double Ambig) &rst ixpk= 960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1=1291, 810,1290, 811, igr2= 791, 789, 790, &end # # 0 AMB 20-2:961 0 AMB 20-1:961 6.00 (# 961:20 Double Ambig) &rst ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 720,1291, 810,1290, igr2= 790, 789, 791, &end # # 0 AMB 20-2:962 0 AMB 20-1:962 6.00 (# 962:20 Double Ambig) &rst ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69, igr1= 746,1291, 745, 73, 810,1290, 30, 811, igr2= 790, 791, 789, &end # # 0 AMB 20-2:963 0 AMB 20-1:963 5.00 (# 963:20 Double Ambig) &rst ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 746,1291, 745, 810,1290, 811, igr2= 790, 791, 789, &end # # 0 AMB 20-2:964 0 AMB 20-1:964 4.00 (# 964:20 Double Ambig) &rst ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 721, 746,1291, 745, 810, 749,1290, 718, 8, 811, igr2= 790, 789, 791, &end # # 0 AMB 20-2:965 0 AMB 20-1:965 6.00 (# 965:20 Double Ambig) &rst ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69, igr1= 746,1291, 745, 810, 749,1290, 71, 811, igr2= 790, 791, 789, &end # # 0 AMB 20-2:966 0 AMB 20-1:966 3.00 (# 966:20 Double Ambig) &rst ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 780, 746,1291, 745, 810, 749,1290, igr2= 790, 789, 791, &end # # 52 ILE HG12 0 AMB 20-1:967 3.00 (# 967:20 Single Ambig) &rst ixpk= 967, nxpk= 20, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 791, 790, 789, &end # # 0 AMB 20-2:968 0 AMB 20-1:968 5.00 (# 968:20 Double Ambig) &rst ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, igr1= 746,1291, 745, 810, 749,1290, 811, igr2= 790, 791, 789, &end # # 52 ILE HG13 0 AMB 20-1:969 3.50 (# 969:20 Single Ambig) &rst ixpk= 969, nxpk= 20, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 791, 789, 790, &end # # 59 ASP HA 0 AMB 20-1:970 6.00 (# 970:20 Single Ambig) &rst ixpk= 970, nxpk= 20, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1215,1216,1214, &end # # 56 ALA HA 0 AMB 20-1:971 6.00 (# 971:20 Single Ambig) &rst ixpk= 971, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1215,1216,1214, &end # # 0 AMB 20-2:972 0 AMB 20-1:972 4.00 (# 972:20 Double Ambig) &rst ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 955,1137, igr2=1215,1214,1216, &end # # 0 AMB 20-2:973 0 AMB 20-1:973 4.00 (# 973:20 Double Ambig) &rst ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 891, 953, igr2=1215,1214,1216, &end # # 79 ILE HA 0 AMB 20-1:974 4.00 (# 974:20 Single Ambig) &rst ixpk= 974, nxpk= 20, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1215,1214,1216, &end # # 76 VAL HA 0 AMB 20-1:975 4.00 (# 975:20 Single Ambig) &rst ixpk= 975, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1214,1215,1216, &end # # 0 AMB 20-2:976 0 AMB 20-1:976 4.00 (# 976:20 Double Ambig) &rst ixpk= 976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 881,1191, igr2=1215,1216,1214, &end # # 59 ASP HB3 0 AMB 20-1:977 4.00 (# 977:20 Single Ambig) &rst ixpk= 977, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1215,1216, &end # # 75 GLN HG2 0 AMB 20-1:978 5.50 (# 978:20 Single Ambig) &rst ixpk= 978, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1214,1216, &end # # 75 GLN HB2 0 AMB 20-1:980 5.00 (# 980:20 Single Ambig) &rst ixpk= 980, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1214,1216,1215, &end # # 0 AMB 20-2:981 0 AMB 20-1:981 5.00 (# 981:20 Double Ambig) &rst ixpk= 981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 896,1140, igr2=1215,1214,1216, &end # # 0 AMB 20-2:982 0 AMB 20-1:982 3.00 (# 982:20 Double Ambig) &rst ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1211,1205, igr2=1216,1215,1214, &end # # 79 ILE HG12 0 AMB 20-1:983 4.00 (# 983:20 Single Ambig) &rst ixpk= 983, nxpk= 20, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1216,1215,1214, &end # # 79 ILE HG12 0 AMB 20-1:984 6.00 (# 984:20 Single Ambig) &rst ixpk= 984, nxpk= 20, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1216,1215,1214, &end # # 0 AMB 20-2:985 0 AMB 20-1:985 5.00 (# 985:20 Double Ambig) &rst ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1211, 959, 958, igr2=1216,1215,1214, &end # # 0 AMB 20-2:986 0 AMB 20-1:986 4.00 (# 986:20 Double Ambig) &rst ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1211,1212, igr2=1216,1214,1215, &end # # 0 AMB 20-2:987 0 AMB 20-1:987 3.00 (# 987:20 Double Ambig) &rst ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1=1209,1211,1208, igr2=1215,1216,1214, &end # # 90 PHE HE2 0 AMB 20-1:990 6.00 (# 990:20 Single Ambig) &rst ixpk= 990, nxpk= 20, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1347,1348,1349, &end # # 90 PHE HD2 0 AMB 20-1:991 6.00 (# 991:20 Single Ambig) &rst ixpk= 991, nxpk= 20, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1347,1348,1349, &end # # 0 AMB 20-2:993 0 AMB 20-1:993 5.00 (# 993:20 Double Ambig) &rst ixpk= 993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 468, 422, igr2=1349,1347,1348, &end # # 0 AMB 20-2:995 0 AMB 20-1:995 3.20 (# 995:20 Single Ambig #modified1015) &rst ixpk= 995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=1241,1222, igr2=1348,1347,1349, &end # # 77 LEU HA 0 AMB 20-1:996 4.00 (# 996:20 Single Ambig) &rst ixpk= 996, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1348,1347,1349, &end # # 91 ILE HA 0 AMB 20-1:997 6.00 (# 997:20 Single Ambig) &rst ixpk= 997, nxpk= 20, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1347,1349,1348, &end # # 87 MET HG3 0 AMB 20-1:998 5.00 (# 998:20 Single Ambig) &rst ixpk= 998, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1348,1347,1349, &end # # 0 AMB 20-2:999 0 AMB 20-1:999 4.00 (# 999:20 Double Ambig) &rst ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1343,1344, igr2=1347,1348,1349, &end # # 0 AMB 20-2:1000 0 AMB 20-1:1000 3.00 (# 1000:20 Double Ambig) &rst ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1344,1341, igr2=1348,1347,1349, &end # # 0 AMB 20-2:1001 0 AMB 20-1:1001 3.50 (# 1001:20 Double Ambig) &rst ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 471,1175,1341, igr2=1349,1348,1347, &end # # 0 AMB 20-2:1002 0 AMB 20-1:1002 4.00 (# 1002:20 Double Ambig) &rst ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1175,1341, 258, igr2=1348,1347,1349, &end # # 0 AMB 20-2:1003 0 AMB 20-1:1003 4.00 (# 1003:20 Double Ambig) &rst ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1175,1225,1341, igr2=1348,1347,1349, &end # # 0 AMB 20-2:1004 0 AMB 20-1:1004 4.00 (# 1004:20 Double Ambig) &rst ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1=1179,1408,1178,1177,1175,1406, igr2=1348,1349,1347, &end # # 0 AMB 20-2:1005 0 AMB 20-1:1005 4.00 (# 1005:20 Double Ambig) &rst ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr1= 479,1183,1181, 481, 476, 477, 480, igr2=1347,1349,1348, &end # # 0 AMB 20-2:1006 0 AMB 20-1:1006 4.00 (# 1006:20 Double Ambig) &rst ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1230,1229,1231, igr2=1347,1348,1349, &end # # 0 AMB 20-2:1007 0 AMB 20-1:1007 4.00 (# 1007:20 Double Ambig) &rst ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1233,1235,1234, igr2=1347,1348,1349, &end # # 83 ASN HA 84 PRO HD3 4.00 (# 1008:20 Unique 2.46, 2.46 A) &rst ixpk= 1008, nxpk= 20, iat=1274,1288, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:1010 0 AMB 20-1:1010 5.00 (# 1010:20 Double Ambig) &rst ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1296,1063, igr2=1288,1055, &end # # 0 AMB 20-2:1014 0 AMB 20-1:1014 6.00 (# 1014:20 Double Ambig) &rst ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1=1277,1075,1092,1074, igr2=1288,1055,1019, &end # # 0 AMB 20-2:1015 84 PRO HD3 6.00 (# 1015:20 Single Ambig) &rst ixpk= 1015, nxpk= 20, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1291,1290, &end # # 0 AMB 20-2:1016 0 AMB 20-1:1016 4.00 (# 1016:20 Double Ambig) &rst ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1291,1290,1060, igr2=1288,1055, &end # # 0 AMB 20-2:1017 0 AMB 20-1:1017 5.00 (# 1017:20 Double Ambig) &rst ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1291,1290,1024, igr2=1288,1019, &end # # 0 AMB 20-2:1018 0 AMB 20-1:1018 4.00 (# 1018:20 Double Ambig) &rst ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1=1022,1021,1291,1057,1290, igr2=1019,1018,1288,1055, &end # # 0 AMB 20-2:1019 0 AMB 20-1:1019 3.00 (# 1019:20 Double Ambig) &rst ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1291,1058,1294,1290, igr2=1288,1055, &end # # 0 AMB 20-2:1020 84 PRO HD3 5.00 (# 1020:20 Single Ambig) &rst ixpk= 1020, nxpk= 20, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1291,1290, &end # # 0 AMB 20-2:1030 98 TYR HB2 4.00 (# 1030:20 Single Ambig) &rst ixpk= 1030, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1538,1529, &end # # 0 AMB 20-2:1031 98 TYR HB2 5.00 (# 1031:20 Single Ambig) &rst ixpk= 1031, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1536,1531, &end # # 98 TYR HA 98 TYR HB2 4.00 (# 1032:20 Unique 2.97, 2.97 A) &rst ixpk= 1032, nxpk= 20, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 95 THR HA 98 TYR HB2 5.00 (# 1033:20 Unique 2.37, 2.37 A) &rst ixpk= 1033, nxpk= 20, iat=1477,1525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1034 98 TYR HB2 6.00 (# 1034:20 Single Ambig) &rst ixpk= 1034, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 521, 494, &end # # 0 AMB 20-2:1035 98 TYR HB2 6.00 (# 1035:20 Single Ambig) &rst ixpk= 1035, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1504,1546, 563, 516, &end # # 0 AMB 20-2:1036 98 TYR HB2 6.00 (# 1036:20 Single Ambig) &rst ixpk= 1036, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1504, 496, 516, &end # # 0 AMB 20-2:1037 98 TYR HB2 6.00 (# 1037:20 Single Ambig) &rst ixpk= 1037, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1481, 502,1482,1506,1483, 516, &end # # 0 AMB 20-2:1038 98 TYR HB2 5.00 (# 1038:20 Single Ambig) &rst ixpk= 1038, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 571, 570, 569, 655, 654, &end # # 0 AMB 20-2:1039 98 TYR HB2 6.00 (# 1039:20 Single Ambig) &rst ixpk= 1039, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 500, 498, 499, &end # # 0 AMB 20-2:1040 94 ARG HD2 5.00 (# 1040:20 Single Ambig) &rst ixpk= 1040, nxpk= 20, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1383,1538,1385, &end # # 90 PHE HD1 94 ARG HD2 6.00 (# 1041:20 Unique 4.20, 4.20 A) &rst ixpk= 1041, nxpk= 20, iat=1381,1461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 94 ARG HA 94 ARG HD2 4.00 (# 1042:20 Unique 2.12, 2.12 A) &rst ixpk= 1042, nxpk= 20, iat=1453,1461, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:1043 94 ARG HD2 5.00 (# 1043:20 Single Ambig) &rst ixpk= 1043, nxpk= 20, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1504,1455, &end # # 0 AMB 20-2:1044 94 ARG HD2 6.00 (# 1044:20 Single Ambig) &rst ixpk= 1044, nxpk= 20, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1504, 258, &end # # 0 AMB 20-2:1045 94 ARG HD2 5.00 (# 1045:20 Single Ambig) &rst ixpk= 1045, nxpk= 20, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 359,1456,1504,1503, &end # # 0 AMB 20-2:1046 94 ARG HD2 5.00 (# 1046:20 Single Ambig) &rst ixpk= 1046, nxpk= 20, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1458,1504, &end # # 0 AMB 20-2:1047 94 ARG HD2 5.00 (# 1047:20 Single Ambig) &rst ixpk= 1047, nxpk= 20, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1459,1504, &end # # 0 AMB 20-2:1048 94 ARG HD2 5.00 (# 1048:20 Single Ambig) &rst ixpk= 1048, nxpk= 20, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 256,1507, 258, &end # # 0 AMB 20-2:1049 94 ARG HD2 5.00 (# 1049:20 Single Ambig) &rst ixpk= 1049, nxpk= 20, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 366, 367, 365, 976, &end # # 0 AMB 20-2:1050 94 ARG HD2 5.00 (# 1050:20 Single Ambig) &rst ixpk= 1050, nxpk= 20, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 260, 500, 261, 262, 498, &end # # 0 AMB 20-2:1051 98 TYR HB3 4.00 (# 1051:20 Single Ambig) &rst ixpk= 1051, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1538,1529, &end # # 0 AMB 20-2:1052 98 TYR HB3 6.00 (# 1052:20 Single Ambig) &rst ixpk= 1052, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1536,1531, &end # # 98 TYR HA 98 TYR HB3 4.00 (# 1053:20 Unique 2.64, 2.64 A) &rst ixpk= 1053, nxpk= 20, iat=1523,1526, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 95 THR HA 98 TYR HB3 5.00 (# 1054:20 Unique 3.78, 3.78 A) &rst ixpk= 1054, nxpk= 20, iat=1477,1526, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1055 98 TYR HB3 6.00 (# 1055:20 Single Ambig) &rst ixpk= 1055, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1601, 521, &end # # 0 AMB 20-2:1056 98 TYR HB3 6.00 (# 1056:20 Single Ambig) &rst ixpk= 1056, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1=1504, 516,1481,1506,1606,1482,1604,1483, &end # # 0 AMB 20-2:1057 98 TYR HB3 5.00 (# 1057:20 Single Ambig) &rst ixpk= 1057, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 571, 569, 570, 655, &end # # 0 AMB 20-2:1058 98 TYR HB3 6.00 (# 1058:20 Single Ambig) &rst ixpk= 1058, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 498, 500, 499, &end # # 78 ASN HA 78 ASN HB3 3.50 (# 1059:20 Unique 3.00, 3.00 A) &rst ixpk= 1059, nxpk= 20, iat=1189,1192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 GLN HA 78 ASN HB3 4.00 (# 1060:20 Unique 3.61, 3.61 A) &rst ixpk= 1060, nxpk= 20, iat=1137,1192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 79 ILE HA 78 ASN HB3 6.00 (# 1062:20 Unique 4.53, 4.53 A) &rst ixpk= 1062, nxpk= 20, iat=1203,1192, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1063 78 ASN HB3 6.00 (# 1063:20 Single Ambig) &rst ixpk= 1063, nxpk= 20, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1122,1125,1123,1126, &end # # 0 AMB 20-2:1064 78 ASN HB3 5.00 (# 1064:20 Single Ambig) &rst ixpk= 1064, nxpk= 20, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1122,1125,1123,1126, &end # # 0 AMB 20-2:1065 78 ASN HB3 6.00 (# 1065:20 Single Ambig) &rst ixpk= 1065, nxpk= 20, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1122,1139,1125,1123,1126, &end # # 0 AMB 20-2:1066 78 ASN HB3 6.00 (# 1066:20 Single Ambig) &rst ixpk= 1066, nxpk= 20, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1122,1140,1125,1123,1126, &end # # 0 AMB 20-2:1067 78 ASN HB3 5.00 (# 1067:20 Single Ambig) &rst ixpk= 1067, nxpk= 20, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1=1205,1122,1211,1125,1244,1123,1126, &end # # 0 AMB 20-2:1068 78 ASN HB3 6.00 (# 1068:20 Single Ambig) &rst ixpk= 1068, nxpk= 20, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1122,1211,1123,1249, &end # # 0 AMB 20-2:1069 78 ASN HB3 6.00 (# 1069:20 Single Ambig) &rst ixpk= 1069, nxpk= 20, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1211,1208, 416,1209,1207, 414, &end # # 0 AMB 20-2:1070 78 ASN HB3 6.00 (# 1070:20 Single Ambig) &rst ixpk= 1070, nxpk= 20, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1214,1211,1216,1215, &end # # 59 ASP HA 59 ASP HB2 4.00 (# 1071:20 Unique 2.93, 2.93 A) &rst ixpk= 1071, nxpk= 20, iat= 879, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 56 ALA HA 59 ASP HB2 4.00 (# 1072:20 Unique 2.42, 2.42 A) &rst ixpk= 1072, nxpk= 20, iat= 833, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:1073 59 ASP HB2 5.00 (# 1073:20 Single Ambig) &rst ixpk= 1073, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 891, 862, 843,1266, 953, &end # # 0 AMB 20-2:1074 59 ASP HB2 6.00 (# 1074:20 Single Ambig) &rst ixpk= 1074, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 864, 894, &end # # 0 AMB 20-2:1075 59 ASP HB2 5.00 (# 1075:20 Single Ambig) &rst ixpk= 1075, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1211, 934,1205, &end # # 0 AMB 20-2:1076 59 ASP HB2 6.00 (# 1076:20 Single Ambig) &rst ixpk= 1076, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1211, 893, 934, 846, &end # # 0 AMB 20-2:1077 59 ASP HB2 5.00 (# 1077:20 Single Ambig) &rst ixpk= 1077, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1211, 837, 835, 934, 836, &end # # 0 AMB 20-2:1078 59 ASP HB2 6.00 (# 1078:20 Single Ambig) &rst ixpk= 1078, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1211,1212, &end # # 0 AMB 20-2:1079 59 ASP HB2 5.00 (# 1079:20 Single Ambig) &rst ixpk= 1079, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1211,1208,1209,1207, &end # # 0 AMB 20-2:1080 59 ASP HB2 4.00 (# 1080:20 Single Ambig) &rst ixpk= 1080, nxpk= 20, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1211,1215,1216, &end # # 78 ASN HA 78 ASN HB2 3.50 (# 1081:20 Unique 2.57, 2.57 A) &rst ixpk= 1081, nxpk= 20, iat=1189,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 GLN HA 78 ASN HB2 4.00 (# 1082:20 Unique 3.69, 3.69 A) &rst ixpk= 1082, nxpk= 20, iat=1137,1191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 79 ILE HA 78 ASN HB2 6.00 (# 1083:20 Unique 5.87, 5.87 A) &rst ixpk= 1083, nxpk= 20, iat=1203,1191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1084 78 ASN HB2 6.00 (# 1084:20 Single Ambig) &rst ixpk= 1084, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1122,1125,1123, &end # # 0 AMB 20-2:1085 78 ASN HB2 5.00 (# 1085:20 Single Ambig) &rst ixpk= 1085, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1122,1125,1123, &end # # 0 AMB 20-2:1086 78 ASN HB2 6.00 (# 1086:20 Single Ambig) &rst ixpk= 1086, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1122,1125,1123,1126, &end # # 0 AMB 20-2:1087 78 ASN HB2 5.00 (# 1087:20 Single Ambig) &rst ixpk= 1087, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1122,1125,1123,1126, &end # # 0 AMB 20-2:1088 78 ASN HB2 5.00 (# 1088:20 Single Ambig) &rst ixpk= 1088, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1122,1125,1123,1126,1205,1175, &end # # 0 AMB 20-2:1089 78 ASN HB2 6.00 (# 1089:20 Single Ambig) &rst ixpk= 1089, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1122,1123, &end # # 0 AMB 20-2:1090 78 ASN HB2 6.00 (# 1090:20 Single Ambig) &rst ixpk= 1090, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1212,1175,1211, &end # # 0 AMB 20-2:1091 78 ASN HB2 6.00 (# 1091:20 Single Ambig) &rst ixpk= 1091, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1250,1175,1211, &end # # 0 AMB 20-2:1092 78 ASN HB2 6.00 (# 1092:20 Single Ambig) &rst ixpk= 1092, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 416, 414,1211, 415,1207,1208, &end # # 0 AMB 20-2:1093 78 ASN HB2 6.00 (# 1093:20 Single Ambig) &rst ixpk= 1093, nxpk= 20, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1214,1211,1216,1215, &end # # 83 ASN HA 83 ASN HB3 5.00 (# 1094:20 Unique 3.02, 3.02 A) &rst ixpk= 1094, nxpk= 20, iat=1274,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1095 83 ASN HB3 6.00 (# 1095:20 Single Ambig) &rst ixpk= 1095, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1319,1266,1302, &end # # 0 AMB 20-2:1096 83 ASN HB3 5.00 (# 1096:20 Single Ambig) &rst ixpk= 1096, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1287, 800,1266,1222, &end # # 0 AMB 20-2:1097 83 ASN HB3 6.00 (# 1097:20 Single Ambig) &rst ixpk= 1097, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1288,1266, &end # # 0 AMB 20-2:1098 83 ASN HB3 4.00 (# 1098:20 Single Ambig) &rst ixpk= 1098, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 780,1290, 139, &end # # 0 AMB 20-2:1099 83 ASN HB3 5.50 (# 1099:20 Single Ambig #released5.0to5.5on1012) &rst ixpk= 1099, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1290, 189,1291,1341, &end # # 0 AMB 20-2:1100 83 ASN HB3 6.00 (# 1100:20 Single Ambig) &rst ixpk= 1100, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 836, 837,1290, 835,1291,1341, &end # # 0 AMB 20-2:1101 83 ASN HB3 4.00 (# 1101:20 Single Ambig) &rst ixpk= 1101, nxpk= 20, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr1= 191, 144, 782, 784,1330,1331,1332, 193, 783, 145, 143, 192, 124, &end # # 0 AMB 20-2:1104 101 ASN HB3 6.00 (# 1104:20 Single Ambig) &rst ixpk= 1104, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1523, 297,1560, &end # # 0 AMB 20-2:1105 101 ASN HB3 6.00 (# 1105:20 Single Ambig) &rst ixpk= 1105, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1563,1564,1504,1562, &end # # 59 ASP HA 59 ASP HB3 4.00 (# 1117:20 Unique 2.68, 2.68 A) &rst ixpk= 1117, nxpk= 20, iat= 879, 882, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 56 ALA HA 59 ASP HB3 5.00 (# 1118:20 Unique 3.54, 3.54 A) &rst ixpk= 1118, nxpk= 20, iat= 833, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1119 59 ASP HB3 6.00 (# 1119:20 Single Ambig) &rst ixpk= 1119, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 891, 862, 843, &end # # 0 AMB 20-2:1120 59 ASP HB3 6.00 (# 1120:20 Single Ambig) &rst ixpk= 1120, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 894, 864, &end # # 79 ILE HG12 59 ASP HB3 5.00 (# 1121:20 Unique 2.70, 2.70 A) &rst ixpk= 1121, nxpk= 20, iat=1211, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1122 59 ASP HB3 5.00 (# 1122:20 Single Ambig) &rst ixpk= 1122, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1211, 893, &end # # 0 AMB 20-2:1123 59 ASP HB3 5.00 (# 1123:20 Single Ambig) &rst ixpk= 1123, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1211, 934, &end # # 0 AMB 20-2:1124 59 ASP HB3 6.00 (# 1124:20 Single Ambig) &rst ixpk= 1124, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1211,1212, &end # # 0 AMB 20-2:1125 59 ASP HB3 4.00 (# 1125:20 Single Ambig) &rst ixpk= 1125, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1211,1209,1208, &end # # 0 AMB 20-2:1126 59 ASP HB3 4.00 (# 1126:20 Single Ambig) &rst ixpk= 1126, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1215,1216,1211, &end # # 0 AMB 20-2:1127 59 ASP HB3 6.00 (# 1127:20 Single Ambig) &rst ixpk= 1127, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 937, 938,1266, &end # # 83 ASN HA 83 ASN HB2 4.00 (# 1128:20 Unique 2.39, 2.39 A) &rst ixpk= 1128, nxpk= 20, iat=1274,1276, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:1129 83 ASN HB2 6.00 (# 1129:20 Single Ambig) &rst ixpk= 1129, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1266,1319,1302, &end # # 0 AMB 20-2:1130 83 ASN HB2 5.00 (# 1130:20 Single Ambig) &rst ixpk= 1130, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1287, 800,1266, &end # # 0 AMB 20-2:1131 83 ASN HB2 6.00 (# 1131:20 Single Ambig) &rst ixpk= 1131, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1288,1266, &end # # 0 AMB 20-2:1132 83 ASN HB2 5.00 (# 1132:20 Single Ambig) &rst ixpk= 1132, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1322,1290,1291, &end # # 0 AMB 20-2:1133 83 ASN HB2 4.00 (# 1133:20 Single Ambig #mod1012) &rst ixpk= 1133, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1290,1291, 189,1321, &end # # 0 AMB 20-2:1134 83 ASN HB2 6.00 (# 1134:20 Single Ambig #mod1012) &rst ixpk= 1134, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 836,1290, 837,1291, 835, 837, &end # # 0 AMB 20-2:1135 83 ASN HB2 4.00 (# 1135:20 Single Ambig #mod1012) &rst ixpk= 1135, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1326,1327,1328,1330,1331,1332, 782, 784, 783, &end # # 0 AMB 20-2:1144 76 VAL HB 6.00 (# 1144:20 Single Ambig) &rst ixpk= 1144, nxpk= 20, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1137, 955,1103, &end # # 76 VAL HA 76 VAL HB 6.00 (# 1146:20 Unique 2.98, 2.98 A) &rst ixpk= 1146, nxpk= 20, iat=1154,1156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1147 76 VAL HB 5.00 (# 1147:20 Single Ambig) &rst ixpk= 1147, nxpk= 20, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1205, 258,1175,1122, 896, 972,1123,1344, 255, &end # # 0 AMB 20-2:1148 76 VAL HB 5.00 (# 1148:20 Single Ambig) &rst ixpk= 1148, nxpk= 20, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 411, 258,1175,1122, 896,1123, &end # # 0 AMB 20-2:1149 76 VAL HB 5.00 (# 1149:20 Single Ambig) &rst ixpk= 1149, nxpk= 20, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 959, 957, 958, 258,1175, &end # # 0 AMB 20-2:1150 76 VAL HB 4.00 (# 1150:20 Single Ambig) &rst ixpk= 1150, nxpk= 20, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1158,1160,1159, &end # # 0 AMB 20-2:1151 76 VAL HB 3.00 (# 1151:20 Single Ambig) &rst ixpk= 1151, nxpk= 20, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 414, 416, 415, &end # # 0 AMB 20-2:1152 76 VAL HB 5.00 (# 1152:20 Single Ambig) &rst ixpk= 1152, nxpk= 20, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 409, 408, 407,1181, &end # # 0 AMB 20-2:1153 76 VAL HB 4.00 (# 1153:20 Single Ambig) &rst ixpk= 1153, nxpk= 20, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1164,1163,1162, &end # # 0 AMB 20-2:1154 76 VAL HB 6.00 (# 1154:20 Single Ambig) &rst ixpk= 1154, nxpk= 20, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1235,1233,1234, &end # # 0 AMB 20-2:1155 60 LEU HB3 6.00 (# 1155:20 Single Ambig) &rst ixpk= 1155, nxpk= 20, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1231,1229,1230,1233,1234,1235, &end # # 102 GLN HA 102 GLN HB3 4.00 (# 1156:20 Unique 2.40, 2.40 A) &rst ixpk= 1156, nxpk= 20, iat=1584,1587, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 103 PRO HD2 102 GLN HB3 5.00 (# 1157:20 Unique 4.83, 4.83 A) &rst ixpk= 1157, nxpk= 20, iat=1600,1587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 103 PRO HD3 102 GLN HB3 5.00 (# 1158:20 Unique 5.14, 5.14 A) &rst ixpk= 1158, nxpk= 20, iat=1601,1587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1159 102 GLN HB3 4.00 (# 1159:20 Single Ambig) &rst ixpk= 1159, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1589,1590, &end # # 0 AMB 20-2:1162 64 LEU HB2 4.00 (# 1162:20 Single Ambig) &rst ixpk= 1162, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 967, 891, &end # # 61 LEU HA 64 LEU HB2 5.00 (# 1163:20 Unique 4.89, 4.89 A) &rst ixpk= 1163, nxpk= 20, iat= 910, 969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1164 64 LEU HB2 5.00 (# 1164:20 Single Ambig) &rst ixpk= 1164, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 972, 896, &end # # 0 AMB 20-2:1165 64 LEU HB2 6.00 (# 1165:20 Single Ambig) &rst ixpk= 1165, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 239, 896, 893, &end # # 0 AMB 20-2:1166 64 LEU HB2 6.00 (# 1166:20 Single Ambig) &rst ixpk= 1166, nxpk= 20, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1162, 261,1164, 262,1163, &end # # 88 ALA HA 91 ILE HB 5.00 (# 1167:20 Unique 2.49, 2.49 A) &rst ixpk= 1167, nxpk= 20, iat=1355,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 91 ILE HA 91 ILE HB 5.00 (# 1168:20 Unique 2.99, 2.99 A) &rst ixpk= 1168, nxpk= 20, iat=1395,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1169 61 LEU HB2 5.00 (# 1169:20 Single Ambig) &rst ixpk= 1169, nxpk= 20, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 843, 862, &end # # 61 LEU HA 61 LEU HB2 4.00 (# 1170:20 Unique 2.49, 2.49 A) &rst ixpk= 1170, nxpk= 20, iat= 910, 912, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:1171 80 LEU HB2 6.00 (# 1171:20 Single Ambig) &rst ixpk= 1171, nxpk= 20, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1338,1120,1266, 891, &end # # 80 LEU HA 80 LEU HB2 5.00 (# 1172:20 Unique 2.94, 2.94 A) &rst ixpk= 1172, nxpk= 20, iat=1222,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 77 LEU HA 80 LEU HB2 5.00 (# 1173:20 Unique 1.84, 1.84 A) &rst ixpk= 1173, nxpk= 20, iat=1170,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1174 80 LEU HB2 5.00 (# 1174:20 Single Ambig) &rst ixpk= 1174, nxpk= 20, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1344,1341, &end # # 0 AMB 20-2:1175 80 LEU HB2 5.00 (# 1175:20 Single Ambig) &rst ixpk= 1175, nxpk= 20, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1=1173,1175,1341, 258,1250,1247, 896, &end # # 0 AMB 20-2:1177 80 LEU HB2 4.00 (# 1177:20 Single Ambig) &rst ixpk= 1177, nxpk= 20, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1=1181,1183, 409,1182, 408, 481, 407, 479, &end # # 65 LYS HA 65 LYS HB3 5.00 (# 1178:20 Unique 2.63, 2.63 A) &rst ixpk= 1178, nxpk= 20, iat= 986, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1179 65 LYS HB3 5.00 (# 1179:20 Single Ambig) &rst ixpk= 1179, nxpk= 20, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 929,1018, &end # # 0 AMB 20-2:1180 65 LYS HB3 5.00 (# 1180:20 Single Ambig) &rst ixpk= 1180, nxpk= 20, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 997, 998, &end # # 65 LYS HG3 65 LYS HB3 5.00 (# 1181:20 Unique 2.92, 2.92 A) &rst ixpk= 1181, nxpk= 20, iat= 992, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1182 65 LYS HB3 5.00 (# 1182:20 Single Ambig) &rst ixpk= 1182, nxpk= 20, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 241, 243, 242, 915, 917, &end # # 0 AMB 20-2:1183 52 ILE HB 6.00 (# 1183:20 Single Ambig) &rst ixpk= 1183, nxpk= 20, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 767,1263, &end # # 52 ILE HA 52 ILE HB 4.00 (# 1185:20 Unique 2.99, 2.99 A) &rst ixpk= 1185, nxpk= 20, iat= 778, 780, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:1186 52 ILE HB 5.00 (# 1186:20 Single Ambig) &rst ixpk= 1186, nxpk= 20, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 800,1266, 769, 770, &end # # 0 AMB 20-2:1187 52 ILE HB 6.00 (# 1187:20 Single Ambig) &rst ixpk= 1187, nxpk= 20, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1290,1291, 810, 720, 811,1293, &end # # 0 AMB 20-2:1188 52 ILE HB 5.00 (# 1188:20 Single Ambig) &rst ixpk= 1188, nxpk= 20, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 73,1290,1291, 810, 811, &end # # 0 AMB 20-2:1189 52 ILE HB 5.00 (# 1189:20 Single Ambig) &rst ixpk= 1189, nxpk= 20, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1290,1291, 721,1294, 810, 811, &end # # 98 TYR HD1 97 LYS HD2 6.00 (# 1190:20 Unique 6.19, 6.19 A) &rst ixpk= 1190, nxpk= 20, iat=1529,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 98 TYR HE1 97 LYS HD2 6.00 (# 1191:20 Unique 7.80, 7.80 A) &rst ixpk= 1191, nxpk= 20, iat=1531,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1192 97 LYS HD2 6.00 (# 1192:20 Single Ambig) &rst ixpk= 1192, nxpk= 20, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 297, 272, &end # # 97 LYS HA 97 LYS HD2 3.50 (# 1193:20 Unique 2.05, 2.05 A) &rst ixpk= 1193, nxpk= 20, iat=1501,1509, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:1194 97 LYS HD2 5.00 (# 1194:20 Single Ambig) &rst ixpk= 1194, nxpk= 20, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1512,1513, &end # # 0 AMB 20-2:1195 97 LYS HD2 5.00 (# 1195:20 Single Ambig) &rst ixpk= 1195, nxpk= 20, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1504,1494, &end # # 0 AMB 20-2:1196 97 LYS HD2 5.00 (# 1196:20 Single Ambig) &rst ixpk= 1196, nxpk= 20, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1506,1504, &end # # 97 LYS HG3 97 LYS HD2 5.00 (# 1197:20 Unique 2.59, 2.59 A) &rst ixpk= 1197, nxpk= 20, iat=1507,1509, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1198 94 ARG HB3 6.00 (# 1198:20 Single Ambig) &rst ixpk= 1198, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1538,1383, &end # # 94 ARG HA 94 ARG HB3 5.00 (# 1199:20 Unique 2.56, 2.56 A) &rst ixpk= 1199, nxpk= 20, iat=1453,1456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1200 94 ARG HB3 6.00 (# 1200:20 Single Ambig) &rst ixpk= 1200, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1395, 513, 205, &end # # 94 ARG HD2 94 ARG HB3 6.00 (# 1201:20 Unique 3.11, 3.11 A) &rst ixpk= 1201, nxpk= 20, iat=1461,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 94 ARG HD3 94 ARG HB3 6.00 (# 1202:20 Unique 3.70, 3.70 A) &rst ixpk= 1202, nxpk= 20, iat=1462,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 94 ARG HG3 94 ARG HB3 5.00 (# 1203:20 Unique 2.47, 2.47 A) &rst ixpk= 1203, nxpk= 20, iat=1459,1456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 0 AMB 20-2:1204 94 ARG HB3 5.00 (# 1204:20 Single Ambig) &rst ixpk= 1204, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 506, 507, 503, 505, &end # # 0 AMB 20-2:1205 94 ARG HB3 6.00 (# 1205:20 Single Ambig) &rst ixpk= 1205, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 500, 498, 499, &end # # 65 LYS HA 65 LYS HG2 5.00 (# 1206:20 Unique 2.14, 2.14 A) &rst ixpk= 1206, nxpk= 20, iat= 986, 991, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 62 ARG HA 65 LYS HG2 6.00 (# 1207:20 Unique 5.31, 5.31 A) &rst ixpk= 1207, nxpk= 20, iat= 929, 991, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1208 65 LYS HG2 5.00 (# 1208:20 Single Ambig) &rst ixpk= 1208, nxpk= 20, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 997, 998, &end # # 65 LYS HB2 65 LYS HG2 4.00 (# 1209:20 Unique 2.91, 2.91 A) &rst ixpk= 1209, nxpk= 20, iat= 988, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:1210 65 LYS HG2 4.00 (# 1210:20 Single Ambig) &rst ixpk= 1210, nxpk= 20, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 241, 242, 243, &end # # 0 AMB 20-2:1211 61 LEU HB3 5.00 (# 1211:20 Single Ambig) &rst ixpk= 1211, nxpk= 20, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 862, 843, 929, &end # # 61 LEU HA 61 LEU HB3 5.00 (# 1212:20 Unique 2.95, 2.95 A) &rst ixpk= 1212, nxpk= 20, iat= 910, 913, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 65 LYS HA 64 LEU HB3 6.00 (# 1213:20 Unique 4.66, 4.66 A) &rst ixpk= 1213, nxpk= 20, iat= 986, 970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1214 64 LEU HB3 6.00 (# 1214:20 Single Ambig) &rst ixpk= 1214, nxpk= 20, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 234,1010, &end # # 0 AMB 20-2:1215 64 LEU HB3 6.00 (# 1215:20 Single Ambig) &rst ixpk= 1215, nxpk= 20, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 264,1162, 266,1164, 265, &end # # 78 ASN HA 77 LEU HB3 6.00 (# 1216:20 Unique 3.89, 3.89 A) &rst ixpk= 1216, nxpk= 20, iat=1189,1173, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1217 77 LEU HB3 5.00 (# 1217:20 Single Ambig) &rst ixpk= 1217, nxpk= 20, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1103,1241,1222,1120, &end # # 77 LEU HA 77 LEU HB3 4.00 (# 1218:20 Unique 2.98, 2.98 A) &rst ixpk= 1218, nxpk= 20, iat=1170,1173, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 0 AMB 20-2:1219 77 LEU HB3 6.00 (# 1219:20 Single Ambig) &rst ixpk= 1219, nxpk= 20, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1191,1125,1126, &end # # 0 AMB 20-2:1220 77 LEU HB3 6.00 (# 1220:20 Single Ambig) &rst ixpk= 1220, nxpk= 20, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1122,1123, &end # # 0 AMB 20-2:1221 77 LEU HB3 6.00 (# 1221:20 Single Ambig) &rst ixpk= 1221, nxpk= 20, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1122,1123, &end # # 82 SER HB3 81 LYS HG3 6.00 (# 1223:20 Unique 4.89, 4.89 A) &rst ixpk= 1223, nxpk= 20, iat=1266,1247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1225 97 LYS HG2 6.00 (# 1225:20 Single Ambig) &rst ixpk= 1225, nxpk= 20, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1529,1538,1383, &end # # 0 AMB 20-2:1226 97 LYS HG2 6.00 (# 1226:20 Single Ambig) &rst ixpk= 1226, nxpk= 20, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1531,1536, &end # # 0 AMB 20-2:1227 97 LYS HG2 5.00 (# 1227:20 Single Ambig) &rst ixpk= 1227, nxpk= 20, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 297, 272, &end # # 80 LEU HA 80 LEU HB3 5.00 (# 1229:20 Unique 2.56, 2.56 A) &rst ixpk= 1229, nxpk= 20, iat=1222,1225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 77 LEU HA 80 LEU HB3 6.00 (# 1230:20 Unique 3.15, 3.15 A) &rst ixpk= 1230, nxpk= 20, iat=1170,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 87 MET HG3 80 LEU HB3 6.00 (# 1231:20 Unique 2.33, 2.33 A) &rst ixpk= 1231, nxpk= 20, iat=1344,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1232 80 LEU HB3 5.00 (# 1232:20 Single Ambig) &rst ixpk= 1232, nxpk= 20, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1344,1341,1348, &end # # 0 AMB 20-2:1233 80 LEU HB3 6.00 (# 1233:20 Single Ambig) &rst ixpk= 1233, nxpk= 20, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1178,1179,1177, 258, &end # # 0 AMB 20-2:1234 80 LEU HB3 5.00 (# 1234:20 Single Ambig) &rst ixpk= 1234, nxpk= 20, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1181,1183, 409,1182, 481, 479, 408, 477, 407, &end # # 0 AMB 20-2:1235 80 LEU HB3 5.00 (# 1235:20 Single Ambig) &rst ixpk= 1235, nxpk= 20, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1230,1229,1231, &end # # 0 AMB 20-2:1236 80 LEU HB3 5.00 (# 1236:20 Single Ambig) &rst ixpk= 1236, nxpk= 20, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1233,1234,1235, &end # # 0 AMB 20-2:1237 97 LYS HG3 6.00 (# 1237:20 Single Ambig) &rst ixpk= 1237, nxpk= 20, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1529,1538, &end # # 0 AMB 20-2:1238 97 LYS HG3 6.00 (# 1238:20 Single Ambig) &rst ixpk= 1238, nxpk= 20, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1531,1536, &end # # 0 AMB 20-2:1239 97 LYS HG3 6.00 (# 1239:20 Single Ambig) &rst ixpk= 1239, nxpk= 20, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 297, 272, &end # # 0 AMB 20-2:1240 91 ILE HG13 6.00 (# 1240:20 Single Ambig) &rst ixpk= 1240, nxpk= 20, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1387,1385,1383, &end # # 90 PHE HD2 91 ILE HG13 6.00 (# 1241:20 Unique 3.24, 3.24 A) &rst ixpk= 1241, nxpk= 20, iat=1389,1404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 88 ALA HA 91 ILE HG13 6.00 (# 1242:20 Unique 3.56, 3.56 A) &rst ixpk= 1242, nxpk= 20, iat=1355,1404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1243 91 ILE HG13 6.00 (# 1243:20 Single Ambig) &rst ixpk= 1243, nxpk= 20, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1343,1341,1344, &end # # 0 AMB 20-2:1245 91 ILE HG13 6.00 (# 1245:20 Single Ambig) &rst ixpk= 1245, nxpk= 20, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1341,1344, 258,1422,1423, 496, &end # # 0 AMB 20-2:1246 91 ILE HG13 6.00 (# 1246:20 Single Ambig) &rst ixpk= 1246, nxpk= 20, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 471,1341, 258,1422, &end # # 0 AMB 20-2:1247 91 ILE HG13 6.00 (# 1247:20 Single Ambig) &rst ixpk= 1247, nxpk= 20, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 476, 477, 475, &end # # 0 AMB 20-2:1249 79 ILE HG13 6.00 (# 1249:20 Single Ambig) &rst ixpk= 1249, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 833,1266, &end # # 0 AMB 20-2:1250 79 ILE HG13 6.00 (# 1250:20 Single Ambig) &rst ixpk= 1250, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 891,1266, &end # # 0 AMB 20-2:1251 79 ILE HG13 6.00 (# 1251:20 Single Ambig) &rst ixpk= 1251, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1154,1266, &end # # 78 ASN HB3 79 ILE HG13 6.00 (# 1252:20 Unique 3.12, 3.12 A) &rst ixpk= 1252, nxpk= 20, iat=1192,1212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1253 79 ILE HG13 5.00 (# 1253:20 Single Ambig) &rst ixpk= 1253, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1191, 881, &end # # 59 ASP HB3 79 ILE HG13 6.00 (# 1254:20 Unique 4.08, 4.08 A) &rst ixpk= 1254, nxpk= 20, iat= 882,1212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1259 0 AMB 20-1:1259 6.00 (# 1259:20 Double Ambig) &rst ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1387,1385, igr2=1175,1327,1328, &end # # 90 PHE HD2 0 AMB 20-1:1260 6.00 (# 1260:20 Single Ambig) &rst ixpk= 1260, nxpk= 20, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr2=1327,1328,1175,1326, &end # # 0 AMB 20-2:1261 0 AMB 20-1:1261 6.00 (# 1261:20 Double Ambig) &rst ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1319,1266, igr2=1327,1326,1328, &end # # 0 AMB 20-2:1262 0 AMB 20-1:1262 5.00 (# 1262:20 Double Ambig) &rst ixpk= 1262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1222, 910, igr2=1327,1328, 915,1326, &end # # 0 AMB 20-2:1263 0 AMB 20-1:1263 6.00 (# 1263:20 Double Ambig) &rst ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02, igr1= 998,1344, 997,1377, igr2= 915,1327,1328,1326, &end # # 0 AMB 20-2:1264 0 AMB 20-1:1264 6.00 (# 1264:20 Double Ambig) &rst ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02, igr1=1225, 896,1341, 258, igr2=1327,1328,1326,1175, &end # # 0 AMB 20-2:1265 0 AMB 20-1:1265 5.00 (# 1265:20 Double Ambig) &rst ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 262, 261,1211, 260, igr2=1328,1327, &end # # 0 AMB 20-2:1266 0 AMB 20-1:1266 5.00 (# 1266:20 Double Ambig) &rst ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1=1229,1230,1231, igr2=1175,1327,1328,1326, &end # # 0 AMB 20-2:1267 0 AMB 20-1:1267 6.00 (# 1267:20 Double Ambig) &rst ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1234,1233, igr2=1327,1328,1326, &end # # 0 AMB 20-2:1268 0 AMB 20-1:1268 6.00 (# 1268:20 Double Ambig) &rst ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1387,1385, igr2=1408,1406,1407, &end # # 0 AMB 20-2:1269 0 AMB 20-1:1269 5.00 (# 1269:20 Double Ambig) &rst ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1389,1381, igr2=1408,1406,1407, &end # # 0 AMB 20-2:1270 0 AMB 20-1:1270 5.00 (# 1270:20 Double Ambig) &rst ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 468,1302, igr2=1408,1407,1406, &end # # 91 ILE HA 0 AMB 20-1:1271 4.00 (# 1271:20 Single Ambig) &rst ixpk= 1271, nxpk= 20, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1407,1406,1408, &end # # 90 PHE HB3 0 AMB 20-1:1272 6.00 (# 1272:20 Single Ambig) &rst ixpk= 1272, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1406,1408,1407, &end # # 0 AMB 20-2:1273 0 AMB 20-1:1273 6.00 (# 1273:20 Double Ambig) &rst ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1=1341,1343,1344,1426, igr2=1406,1408,1407, &end # # 80 LEU HD21 0 AMB 20-1:1274 6.00 (# 1274:20 Single Ambig) &rst ixpk= 1274, nxpk= 20, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1406,1408, &end # # 0 AMB 20-2:1275 84 PRO HD3 6.00 (# 1275:20 Single Ambig) &rst ixpk= 1275, nxpk= 20, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 784, 782, 783, &end # # 65 LYS HA 0 AMB 20-1:1276 6.00 (# 1276:20 Single Ambig) &rst ixpk= 1276, nxpk= 20, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 997, 998, &end # # 62 ARG HA 0 AMB 20-1:1277 6.00 (# 1277:20 Single Ambig) &rst ixpk= 1277, nxpk= 20, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 997, 998, &end # # 0 AMB 20-2:1278 0 AMB 20-1:1278 6.00 (# 1278:20 Double Ambig) &rst ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 988, 915, igr2= 997, 998, &end # # 0 AMB 20-2:1279 0 AMB 20-1:1279 6.00 (# 1279:20 Double Ambig) &rst ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 994, 995, igr2= 998, 997, &end # # 0 AMB 20-2:1280 0 AMB 20-1:1280 6.00 (# 1280:20 Double Ambig) &rst ixpk= 1280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 992, 915, igr2= 997, 998, &end # # 0 AMB 20-2:1281 0 AMB 20-1:1281 6.00 (# 1281:20 Double Ambig) &rst ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 915, 242, 243, 241, 917, 919, igr2= 998, 997, &end # # 98 TYR HD1 0 AMB 20-1:1282 6.00 (# 1282:20 Single Ambig) &rst ixpk= 1282, nxpk= 20, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1512,1513, &end # # 98 TYR HE1 0 AMB 20-1:1283 6.00 (# 1283:20 Single Ambig) &rst ixpk= 1283, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1512,1513, &end # # 97 LYS HA 0 AMB 20-1:1286 6.00 (# 1286:20 Single Ambig) &rst ixpk= 1286, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1512,1513, &end # # 0 AMB 20-2:1287 0 AMB 20-1:1287 6.00 (# 1287:20 Double Ambig) &rst ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=1589,1590, igr2=1512,1513, &end # # 0 AMB 20-2:1288 0 AMB 20-1:1288 6.00 (# 1288:20 Double Ambig) &rst ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31, igr1= 301,1506, 302, 303,1504, igr2=1513,1512, &end # # 97 LYS HG3 0 AMB 20-1:1289 6.00 (# 1289:20 Single Ambig) &rst ixpk= 1289, nxpk= 20, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1512,1513, &end # # 103 PRO HA 103 PRO HB2 6.00 (# 1290:20 Unique 2.73, 2.73 A) &rst ixpk= 1290, nxpk= 20, iat=1609,1606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 100 ALA HA 103 PRO HB2 6.50 (# 1291:20 Unique 6.30, 6.30 A#releaseto6.5on0924) &rst ixpk= 1291, nxpk= 20, iat=1560,1606, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 103 PRO HG2 103 PRO HB2 6.00 (# 1292:20 Unique 2.37, 2.37 A) &rst ixpk= 1292, nxpk= 20, iat=1603,1606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 103 PRO HB3 103 PRO HB2 6.00 (# 1293:20 Unique 1.75, 1.75 A) &rst ixpk= 1293, nxpk= 20, iat=1607,1606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1299 103 PRO HB2 6.00 (# 1299:20 Single Ambig) &rst ixpk= 1299, nxpk= 20, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1549,1548,1552,1550,1554, &end # # 0 AMB 20-2:1300 103 PRO HB2 6.00 (# 1300:20 Single Ambig) &rst ixpk= 1300, nxpk= 20, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1549,1548,1552,1550,1554, &end # # 98 TYR HD1 0 AMB 20-1:1304 6.00 (# 1304:20 Single Ambig) &rst ixpk= 1304, nxpk= 20, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1590,1589, &end # # 0 AMB 20-2:1305 91 ILE HB 6.00 (# 1305:20 Single Ambig) &rst ixpk= 1305, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1389,1381, &end # # 0 AMB 20-2:1306 91 ILE HB 6.00 (# 1306:20 Single Ambig) &rst ixpk= 1306, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 476, 475, 477, 479, &end # # 0 AMB 20-2:1307 79 ILE HB 6.00 (# 1307:20 Single Ambig) &rst ixpk= 1307, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 891,1266, &end # # 79 ILE HA 79 ILE HB 6.00 (# 1308:20 Unique 2.99, 2.99 A) &rst ixpk= 1308, nxpk= 20, iat=1203,1205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 76 VAL HA 79 ILE HB 6.00 (# 1309:20 Unique 3.08, 3.08 A) &rst ixpk= 1309, nxpk= 20, iat=1154,1205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1310 79 ILE HB 6.00 (# 1310:20 Single Ambig) &rst ixpk= 1310, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 881,1191, &end # # 59 ASP HB3 79 ILE HB 6.00 (# 1311:20 Unique 4.68, 4.68 A) &rst ixpk= 1311, nxpk= 20, iat= 882,1205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1312 79 ILE HB 6.00 (# 1312:20 Single Ambig) &rst ixpk= 1312, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 894,1156,1122, &end # # 0 AMB 20-2:1313 79 ILE HB 6.00 (# 1313:20 Single Ambig) &rst ixpk= 1313, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1211, 893, &end # # 0 AMB 20-2:1314 79 ILE HB 6.00 (# 1314:20 Single Ambig) &rst ixpk= 1314, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1211, 266,1162, &end # # 0 AMB 20-2:1315 79 ILE HB 6.00 (# 1315:20 Single Ambig) &rst ixpk= 1315, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1211,1229, &end # # 0 AMB 20-2:1316 80 LEU HB2 6.00 (# 1316:20 Single Ambig) &rst ixpk= 1316, nxpk= 20, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 266, 265, 264,1164,1163,1211, &end # # 0 AMB 20-2:1317 80 LEU HB2 6.00 (# 1317:20 Single Ambig) &rst ixpk= 1317, nxpk= 20, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1=1344,1348,1347,1175,1341, 258,1243,1349, &end # # 0 AMB 20-2:1318 80 LEU HG 6.00 (# 1318:20 Single Ambig) &rst ixpk= 1318, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 891, 253, 184,1266,1120, &end # # 80 LEU HA 80 LEU HG 6.00 (# 1319:20 Unique 2.55, 2.55 A) &rst ixpk= 1319, nxpk= 20, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1320 80 LEU HG 6.00 (# 1320:20 Single Ambig) &rst ixpk= 1320, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1170,1203, &end # # 0 AMB 20-2:1321 80 LEU HG 6.00 (# 1321:20 Single Ambig) &rst ixpk= 1321, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1225, 258, 896, &end # # 0 AMB 20-2:1322 80 LEU HG 6.00 (# 1322:20 Single Ambig) &rst ixpk= 1322, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31, igr1= 258, 896,1178, 414, 975,1177, 976, 416,1179,1211, &end # # 0 AMB 20-2:1323 80 LEU HG 6.00 (# 1323:20 Single Ambig) &rst ixpk= 1323, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 409,1181, 408, 407, 481,1182,1211,1183, &end # # 0 AMB 20-2:1324 80 LEU HG 6.00 (# 1324:20 Single Ambig) &rst ixpk= 1324, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 266, 265, &end # # 78 ASN HA 81 LYS HD2 6.00 (# 1325:20 Unique 4.11, 4.11 A) &rst ixpk= 1325, nxpk= 20, iat=1189,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1326 81 LYS HD2 6.00 (# 1326:20 Single Ambig) &rst ixpk= 1326, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1241,1266, &end # # 0 AMB 20-2:1327 81 LYS HD2 6.00 (# 1327:20 Single Ambig) &rst ixpk= 1327, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1266,1170, &end # # 87 MET HG3 81 LYS HD2 6.50 (# 1328:20 Unique 7.70, 7.70 A =>released6.0to6.5on1009) &rst ixpk= 1328, nxpk= 20, iat=1344,1249, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 81 LYS HB2 81 LYS HD2 6.00 (# 1329:20 Unique 2.66, 2.66 A) &rst ixpk= 1329, nxpk= 20, iat=1243,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 81 LYS HB3 81 LYS HD2 6.00 (# 1330:20 Unique 2.87, 2.87 A) &rst ixpk= 1330, nxpk= 20, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1332 64 LEU HB3 6.00 (# 1332:20 Single Ambig) &rst ixpk= 1332, nxpk= 20, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 896, 957, 959, 958, 915, &end # # 15 THR HB 0 AMB 20-1:1333 6.00 (# 1333:20 Single Ambig) &rst ixpk= 1333, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 919, 917, 918, &end # # 0 AMB 20-2:1334 0 AMB 20-1:1334 6.00 (# 1334:20 Double Ambig) &rst ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 136, 117, igr2= 918, 919, 917, &end # # 61 LEU HA 0 AMB 20-1:1335 6.00 (# 1335:20 Single Ambig) &rst ixpk= 1335, nxpk= 20, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 917, 918, &end # # 12 GLN HB2 0 AMB 20-1:1336 6.00 (# 1336:20 Single Ambig) &rst ixpk= 1336, nxpk= 20, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 918, 919, &end # # 0 AMB 20-2:1338 0 AMB 20-1:1338 6.00 (# 1338:20 Double Ambig) &rst ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 915, 913, igr2= 919, 917, 918, &end # # 61 LEU HG 0 AMB 20-1:1339 6.00 (# 1339:20 Single Ambig) &rst ixpk= 1339, nxpk= 20, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 919, 917, 918, &end # # 0 AMB 20-2:1340 0 AMB 20-1:1340 6.00 (# 1340:20 Double Ambig) &rst ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 997, 998, igr2= 917, 919, 918, &end # # 12 GLN HG2 0 AMB 20-1:1341 6.00 (# 1341:20 Single Ambig) &rst ixpk= 1341, nxpk= 20, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 919, 918, 917, &end # # 0 AMB 20-2:1342 0 AMB 20-1:1342 6.00 (# 1342:20 Double Ambig) &rst ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1383,1385,1387, igr2= 980, 978, 979, &end # # 0 AMB 20-2:1343 0 AMB 20-1:1343 6.00 (# 1343:20 Double Ambig) &rst ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1381,1389, igr2= 980, 978, 979, &end # # 0 AMB 20-2:1344 0 AMB 20-1:1344 6.00 (# 1344:20 Double Ambig) &rst ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 955, 234, igr2= 978, 979, 980, &end # # 0 AMB 20-2:1345 0 AMB 20-1:1345 6.00 (# 1345:20 Double Ambig) &rst ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 910,1375,1222, 275, igr2= 979, 978, 980, &end # # 0 AMB 20-2:1346 0 AMB 20-1:1346 6.00 (# 1346:20 Double Ambig) &rst ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1= 894,1156, 405, igr2= 979, 978, 980, &end # # 0 AMB 20-2:1347 0 AMB 20-1:1347 6.00 (# 1347:20 Double Ambig) &rst ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 969, 896, igr2= 978, 979, 980, &end # # 0 AMB 20-2:1348 0 AMB 20-1:1348 6.00 (# 1348:20 Double Ambig) &rst ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 972, 896, 255, 258, igr2= 979, 980, 978, &end # # 0 AMB 20-2:1349 0 AMB 20-1:1349 6.00 (# 1349:20 Double Ambig) &rst ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 239, 896, igr2= 979, 978, 980, &end # # 0 AMB 20-2:1350 0 AMB 20-1:1350 6.00 (# 1350:20 Double Ambig) &rst ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1= 970, 896, 258, igr2= 979, 978, 980, &end # # 0 AMB 20-2:1351 0 AMB 20-1:1351 6.00 (# 1351:20 Double Ambig) &rst ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 896, 258, 957, 959, igr2= 979, 978, 980, &end # # 0 AMB 20-2:1352 0 AMB 20-1:1352 6.00 (# 1352:20 Double Ambig) &rst ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1231,1229,1230, igr2= 980, 978, 979, &end # # 0 AMB 20-2:1353 0 AMB 20-1:1353 6.00 (# 1353:20 Double Ambig) &rst ixpk= 1353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 261, 262, igr2= 980, 978, &end # # 0 AMB 20-2:1354 0 AMB 20-1:1354 6.00 (# 1354:20 Double Ambig) &rst ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1235,1234,1233, igr2= 980, 978, 979, &end # # 54 PRO HA 0 AMB 20-1:1355 6.00 (# 1355:20 Single Ambig) &rst ixpk= 1355, nxpk= 20, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 855, 854, &end # # 0 AMB 20-2:1357 0 AMB 20-1:1357 6.00 (# 1357:20 Double Ambig) &rst ixpk= 1357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1= 811, 864, 810, igr2= 854, 855, 856, &end # # 0 AMB 20-2:1358 0 AMB 20-1:1358 6.00 (# 1358:20 Double Ambig) &rst ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1= 811, 122, 810, igr2= 854, 855, 856, &end # # 0 AMB 20-2:1359 0 AMB 20-1:1359 6.00 (# 1359:20 Double Ambig) &rst ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 811, 122, 119, 810, igr2= 854, 855, 856, &end # # 0 AMB 20-2:1360 0 AMB 20-1:1360 6.00 (# 1360:20 Double Ambig) &rst ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 120, 811, 122, 810, igr2= 854, 855, 856, &end # # 0 AMB 20-2:1361 0 AMB 20-1:1361 6.00 (# 1361:20 Double Ambig) &rst ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1385,1387,1383, igr2=1164,1163,1162, &end # # 0 AMB 20-2:1363 0 AMB 20-1:1363 6.00 (# 1363:20 Double Ambig) &rst ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 955,1137,1103,1086, igr2=1162,1163,1164, &end # # 0 AMB 20-2:1364 0 AMB 20-1:1364 6.00 (# 1364:20 Double Ambig) &rst ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 347, 967, igr2=1164,1163,1162, &end # # 0 AMB 20-2:1365 0 AMB 20-1:1365 6.00 (# 1365:20 Double Ambig) &rst ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1103,1086, igr2=1163,1164,1162, &end # # 0 AMB 20-2:1366 0 AMB 20-1:1366 6.00 (# 1366:20 Double Ambig) &rst ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1= 403,1103,1086, igr2=1163,1164,1162, &end # # 0 AMB 20-2:1367 0 AMB 20-1:1367 6.00 (# 1367:20 Double Ambig) &rst ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40, igr1=1072,1172,1227, 258, 896,1071, 356,1122,1224,1074, 1123, 255, igr2=1163,1162,1164, &end # # 0 AMB 20-2:1368 0 AMB 20-1:1368 6.00 (# 1368:20 Double Ambig) &rst ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47, igr1=1072, 258, 896,1071, 239,1122,1123, igr2=1163,1162,1164, &end # # 0 AMB 20-2:1369 0 AMB 20-1:1369 6.00 (# 1369:20 Double Ambig) &rst ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1= 957, 959, 958, igr2=1162,1164,1163, &end # # 28 ILE HG13 0 AMB 20-1:1370 6.00 (# 1370:20 Single Ambig) &rst ixpk= 1370, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1164,1163, &end # # 0 AMB 20-2:1371 0 AMB 20-1:1371 6.00 (# 1371:20 Double Ambig) &rst ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, igr1= 409, 408, 407,1182,1181, 481, igr2=1164,1163,1162, &end # # 0 AMB 20-2:1372 0 AMB 20-1:1372 6.00 (# 1372:20 Double Ambig) &rst ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1231,1229,1230, igr2=1164,1163,1162, &end # # 80 LEU HD23 0 AMB 20-1:1373 6.00 (# 1373:20 Single Ambig) &rst ixpk= 1373, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1164,1162,1163, &end # # 0 AMB 20-2:1374 0 AMB 20-1:1374 6.00 (# 1374:20 Double Ambig) &rst ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1387,1385, igr2=1230,1231,1229, &end # # 90 PHE HD2 0 AMB 20-1:1375 6.00 (# 1375:20 Single Ambig) &rst ixpk= 1375, nxpk= 20, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1230,1231, &end # # 0 AMB 20-2:1376 0 AMB 20-1:1376 6.00 (# 1376:20 Double Ambig) &rst ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 354,1189, igr2=1231,1229,1230, &end # # 0 AMB 20-2:1378 0 AMB 20-1:1378 6.00 (# 1378:20 Double Ambig) &rst ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 253,1120, 348, 891, igr2=1231,1229,1230, &end # # 77 LEU HA 0 AMB 20-1:1379 6.00 (# 1379:20 Single Ambig) &rst ixpk= 1379, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1229,1230, &end # # 0 AMB 20-2:1380 0 AMB 20-1:1380 6.00 (# 1380:20 Double Ambig) &rst ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 206,1378, igr2=1231,1230,1229, &end # # 76 VAL HA 0 AMB 20-1:1381 6.00 (# 1381:20 Single Ambig) &rst ixpk= 1381, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1229,1231,1230, &end # # 0 AMB 20-2:1382 0 AMB 20-1:1382 6.00 (# 1382:20 Double Ambig) &rst ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1344,1377, igr2=1230,1231,1229, &end # # 87 MET HG3 0 AMB 20-1:1383 6.00 (# 1383:20 Single Ambig) &rst ixpk= 1383, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1230,1229,1231, &end # # 0 AMB 20-2:1384 0 AMB 20-1:1384 6.00 (# 1384:20 Double Ambig) &rst ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1343,1344, igr2=1230,1229,1231, &end # # 0 AMB 20-2:1385 0 AMB 20-1:1385 6.00 (# 1385:20 Double Ambig) &rst ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1344,1341, igr2=1230,1229,1231, &end # # 0 AMB 20-2:1386 0 AMB 20-1:1386 6.00 (# 1386:20 Double Ambig) &rst ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1= 258,1341,1175, igr2=1231,1230,1229, &end # # 0 AMB 20-2:1387 0 AMB 20-1:1387 6.00 (# 1387:20 Double Ambig) &rst ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 258,1173,1341,1175, igr2=1231,1230,1229, &end # # 0 AMB 20-2:1388 0 AMB 20-1:1388 6.00 (# 1388:20 Double Ambig) &rst ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 258,1225, igr2=1231,1230,1229, &end # # 0 AMB 20-2:1389 0 AMB 20-1:1389 6.00 (# 1389:20 Double Ambig) &rst ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1=1158, 258,1160,1159, igr2=1231,1229,1230, &end # # 0 AMB 20-2:1390 0 AMB 20-1:1390 6.00 (# 1390:20 Double Ambig) &rst ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1181,1182,1183, igr2=1230,1229,1231, &end # # 0 AMB 20-2:1391 0 AMB 20-1:1391 6.00 (# 1391:20 Double Ambig) &rst ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1= 266, 265, 264, igr2=1231,1229,1230, &end # # 0 AMB 20-2:1392 0 AMB 20-1:1392 6.00 (# 1392:20 Double Ambig) &rst ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1387,1385,1383, igr2=1233,1235,1234, &end # # 90 PHE HD2 0 AMB 20-1:1393 6.00 (# 1393:20 Single Ambig) &rst ixpk= 1393, nxpk= 20, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1233,1235,1234, &end # # 0 AMB 20-2:1394 0 AMB 20-1:1394 6.00 (# 1394:20 Double Ambig) &rst ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92, igr1= 253, 184, 891,1266, 136, igr2=1235,1234,1233, &end # # 80 LEU HA 0 AMB 20-1:1395 6.00 (# 1395:20 Single Ambig) &rst ixpk= 1395, nxpk= 20, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1234,1233, &end # # 0 AMB 20-2:1396 0 AMB 20-1:1396 6.00 (# 1396:20 Double Ambig) &rst ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1170,1203,1266, igr2=1233,1234,1235, &end # # 0 AMB 20-2:1397 0 AMB 20-1:1397 6.00 (# 1397:20 Double Ambig) &rst ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 206,1378, igr2=1235,1233,1234, &end # # 0 AMB 20-2:1398 0 AMB 20-1:1398 6.00 (# 1398:20 Double Ambig) &rst ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1377,1344, igr2=1235,1233,1234, &end # # 0 AMB 20-2:1399 0 AMB 20-1:1399 6.00 (# 1399:20 Double Ambig) &rst ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=1343,1344,1341, igr2=1233,1235,1234, &end # # 0 AMB 20-2:1400 0 AMB 20-1:1400 6.00 (# 1400:20 Double Ambig) &rst ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1344,1341, igr2=1233,1234,1235, &end # # 0 AMB 20-2:1401 0 AMB 20-1:1401 6.00 (# 1401:20 Double Ambig) &rst ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1=1344,1341,1156, 894, igr2=1233,1234,1235, &end # # 0 AMB 20-2:1402 0 AMB 20-1:1402 6.00 (# 1402:20 Double Ambig) &rst ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92, igr1= 258,1344,1341,1347, 896, igr2=1235,1233,1234, &end # # 0 AMB 20-2:1403 0 AMB 20-1:1403 6.00 (# 1403:20 Double Ambig) &rst ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 258,1341, igr2=1235,1233,1234, &end # # 0 AMB 20-2:1404 0 AMB 20-1:1404 6.00 (# 1404:20 Double Ambig) &rst ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1225, 258, igr2=1233,1235,1234, &end # # 0 AMB 20-2:1405 0 AMB 20-1:1405 6.00 (# 1405:20 Double Ambig) &rst ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1=1330, 258,1332,1331, igr2=1234,1235,1233, &end # # 0 AMB 20-2:1406 0 AMB 20-1:1406 6.00 (# 1406:20 Double Ambig) &rst ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40, igr1=1181, 409, 477, 481, 476, 479,1183, 407, 408,1182, 475, 480, igr2=1233,1235,1234, &end # # 0 AMB 20-2:1407 0 AMB 20-1:1407 6.00 (# 1407:20 Double Ambig) &rst ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 266, 265, igr2=1235,1234, &end # # 90 PHE HE1 94 ARG HD3 6.00 (# 1408:20 Unique 2.37, 2.37 A) &rst ixpk= 1408, nxpk= 20, iat=1383,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 90 PHE HD1 94 ARG HD3 6.00 (# 1409:20 Unique 3.96, 3.96 A) &rst ixpk= 1409, nxpk= 20, iat=1381,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 25 LEU HA 94 ARG HD3 6.00 (# 1410:20 Unique 3.15, 3.15 A) &rst ixpk= 1410, nxpk= 20, iat= 354,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 18 SER HA 94 ARG HD3 6.00 (# 1411:20 Unique 3.18, 3.18 A) &rst ixpk= 1411, nxpk= 20, iat= 272,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1413 94 ARG HD3 6.00 (# 1413:20 Single Ambig) &rst ixpk= 1413, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1455,1504, 258, &end # # 0 AMB 20-2:1414 94 ARG HD3 6.00 (# 1414:20 Single Ambig) &rst ixpk= 1414, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 256, 258,1507, &end # # 0 AMB 20-2:1415 94 ARG HD3 6.00 (# 1415:20 Single Ambig) &rst ixpk= 1415, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 475, 477, 407, 409, 476, &end # # 0 AMB 20-2:1416 94 ARG HD3 6.00 (# 1416:20 Single Ambig) &rst ixpk= 1416, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 500, 264, 266, 265, &end # # 0 AMB 20-2:1417 94 ARG HD3 6.00 (# 1417:20 Single Ambig) &rst ixpk= 1417, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 366, 367, 365, 976, 258, 974, &end # # 0 AMB 20-2:1418 94 ARG HD3 6.00 (# 1418:20 Single Ambig) &rst ixpk= 1418, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 260, 261, 262, &end # # 83 ASN HA 0 AMB 20-1:1419 6.00 (# 1419:20 Single Ambig) &rst ixpk= 1419, nxpk= 20, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1293,1341, &end # # 0 AMB 20-2:1420 0 AMB 20-1:1420 6.00 (# 1420:20 Double Ambig) &rst ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1= 715,1302, igr2= 720,1293,1341, &end # # 0 AMB 20-2:1421 48 PRO HB2 6.00 (# 1421:20 Single Ambig) &rst ixpk= 1421, nxpk= 20, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 714, 715, &end # # 0 AMB 20-2:1422 84 PRO HB2 6.00 (# 1422:20 Single Ambig) &rst ixpk= 1422, nxpk= 20, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1290,1291, &end # # 0 AMB 20-2:1423 0 AMB 20-1:1423 6.00 (# 1423:20 Double Ambig) &rst ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.05, r4=11.55, igr1=1181,1183, 479, 481,1182, 790, 476, 477, 789, 480, 409, 408, 407, igr2=1344, 720,1341, &end # # 0 AMB 20-2:1424 90 PHE HB2 6.00 (# 1424:20 Single Ambig) &rst ixpk= 1424, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 253, 184,1453, 136, &end # # 90 PHE HA 90 PHE HB2 6.00 (# 1425:20 Unique 2.32, 2.32 A) &rst ixpk= 1425, nxpk= 20, iat=1375,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1427 90 PHE HB2 6.00 (# 1427:20 Single Ambig) &rst ixpk= 1427, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr1=1330,1331,1332, 145, 980, 143, &end # # 0 AMB 20-2:1428 90 PHE HB2 6.00 (# 1428:20 Single Ambig) &rst ixpk= 1428, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 265, 266, 264, &end # # 0 AMB 20-2:1429 90 PHE HB2 6.00 (# 1429:20 Single Ambig) &rst ixpk= 1429, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1231,1230,1229, &end # # 0 AMB 20-2:1430 90 PHE HB2 6.00 (# 1430:20 Single Ambig) &rst ixpk= 1430, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1235,1233,1234, &end # # 90 PHE HE1 94 ARG HG2 6.00 (# 1431:20 Unique 2.34, 2.34 A) &rst ixpk= 1431, nxpk= 20, iat=1383,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 90 PHE HD1 94 ARG HG2 6.00 (# 1432:20 Unique 2.13, 2.13 A) &rst ixpk= 1432, nxpk= 20, iat=1381,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 94 ARG HA 94 ARG HG2 6.00 (# 1433:20 Unique 2.81, 2.81 A) &rst ixpk= 1433, nxpk= 20, iat=1453,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 94 ARG HD2 94 ARG HG2 6.00 (# 1434:20 Unique 2.43, 2.43 A) &rst ixpk= 1434, nxpk= 20, iat=1461,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 0 AMB 20-2:1435 94 ARG HG2 6.00 (# 1435:20 Single Ambig) &rst ixpk= 1435, nxpk= 20, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 506, 507, 258, 505, 503, &end # # 0 AMB 20-2:1436 94 ARG HG2 6.00 (# 1436:20 Single Ambig) &rst ixpk= 1436, nxpk= 20, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 258, 366, 367, 976, 365, &end # # 0 AMB 20-2:1437 94 ARG HG2 6.00 (# 1437:20 Single Ambig) &rst ixpk= 1437, nxpk= 20, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 260, 261, 500, 262, 498, &end # # 0 AMB 20-2:1440 19 ASN HA 5.00 (# 1440:20 singleambig0620) &rst ixpk= 1440, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 297, 272, &end # # 0 AMB 20-2:1442 0 AMB 20-1:1442 5.00 (# 1442:20 DoublEAMBIG0620 ) &rst ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 236, 237, 356, 357, igr2= 301, 302, 303, 224, 225, 226, &end # # 0 AMB 20-2:1443 0 AMB 20-1:1443 6.00 (# 1443:20 DoublEAMBIG0620releasednostereoadded0620 ) &rst ixpk= 1443, nxpk= 20, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, igr1= 241, 242, 243, 245, 246, 247, 361, 362, 363, 365, 366, 367, 974, 975, 976, 978, 979, 980, &end # # 0 AMB 20-2:1445 0 AMB 20-1:1445 6.00 (# 1445:20 DoublEAMBIG0620releasednostereoAdded0620) &rst ixpk= 1445, nxpk= 20, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 272, 297, 323, &end # # 0 AMB 20-2:1446 29 ASP HB2 5.00 (# 1446:20 Single Ambig0919) &rst ixpk= 1446, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1529,1538,1385,1383,1387, &end #
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