NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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619522 |
5u9b   |
30210 | cing | 1-original | 3 | DYANA/DIANA | distance | NOE | simple |
# Restraints file 4: mbnl12_1211.upl 3 VAL HA 4 SER H 2.61 #peak 342 #SUP 0.69 #QF 0.69 3 VAL HB 4 SER H 3.80 #peak 343 #SUP 0.92 #QF 0.92 3 VAL QQG 4 SER H 3.68 #peak 344 #SUP 0.99 #QF 0.99 # 3 VAL QQG 4 SER HA 4.56 #peak 476 #SUP 0.98 #QF 0.75 # 4 SER HA 5 VAL QQG 4.81 #peak 476 #SUP 0.98 #QF 0.75 4 SER QB 5 VAL H 3.41 #peak 616 #SUP 0.82 #QF 0.82 5 VAL HA 6 THR H 2.55 #peak 239 #SUP 0.68 #QF 0.68 5 VAL HB 6 THR H 3.89 #peak 235 #SUP 0.97 #QF 0.97 5 VAL QQG 6 THR H 3.28 #peak 233 #SUP 0.98 #QF 0.98 # 5 VAL QQG 6 THR HA 4.44 #peak 399 #SUP 0.99 #QF 0.99 # 5 VAL QQG 7 PRO HA 5.18 #peak 381 #SUP 1.00 #QF 0.44 prob 7a-8g 6 THR H 7 PRO QD 5.00 #peak 236 # 6 THR HA 7 PRO HD2 2.85 #peak 392 #SUP 0.99 #QF 0.99 # 6 THR HA 7 PRO HD3 2.85 #peak 393 #SUP 1.00 6 THR HA 7 PRO QG 4.86 #peak 397 #SUP 0.98 #QF 0.98 no stereo # 6 THR HA 7 PRO HG3 4.86 #peak 1062 #SUP 1.00 6 THR HA 7 PRO QD 2.48 #USE QD #peak 392 # 6 THR HA 7 PRO QG 4.01 #peak 397 # 6 THR HB 7 PRO HD2 5.02 #7/16+0.5 #peak 1907 #SUP 0.98 #QF 0.98 # 6 THR HB 7 PRO HD3 5.02 #7/16+0.5 #peak 1908 #SUP 0.99 #QF 0.99 # 6 THR HB 7 PRO QD 3.76 #peak 1908 6 THR QG2 7 PRO HA 4.76 #peak 380 #SUP 0.92 #QF 0.92 weak 6 THR QG2 7 PRO HD2 3.93 #peak 402 #SUP 0.99 #QF 0.99 6 THR QG2 7 PRO HD3 4.43 #7/21+0.5 #peak 1038 #SUP 1.00 # 6 THR QG2 7 PRO QD 3.34 #peak 1038 # 7 PRO HA 8 ILE HA 4.62 #peak 373 #SUP 0.94 #QF 0.94 # 7 PRO HA 8 ILE QG1 5.34 #peak 379 # 7 PRO HA 8 ILE QG2 4.70 #peak 847 #SUP 0.81 #QF 0.81 7 PRO QB 8 ILE H 2.69 #peak 618 #SUP 0.62 #QF 0.62 # 7 PRO HB2 8 ILE QG1 3.72 #peak 926 noise # 7 PRO HB3 8 ILE H 4.16 #7/16/+0.5 #peak 621 #SUP 0.95 #QF 0.95 7 PRO QD 8 ILE H 5.27 #7/12+0.5 #peak 620 8 ILE HA 9 ARG+ H 2.80 #peak 660 #SUP 0.88 #QF 0.88 # 8 ILE HA 9 ARG+ QB 4.74 #peak 948 #SUP 0.95 #QF 0.95 # 8 ILE HA 9 ARG+ QD 5.08 #7/16+0.5 #7/21+0.5 #11/13 #peak 957 # 8 ILE HA 9 ARG+ QG 4.62 #peak 834 #SUP 1.00 #QF 0.99 own g 8 ILE HB 9 ARG+ H 3.41 #peak 657 #SUP 0.96 #QF 0.96 # 8 ILE QD1 9 ARG+ HA 5.00 #peak 953 #SUP 0.72 #QF 0.72 v weak # 8 ILE QD1 9 ARG+ QD 5.34 #7/12 #peak 118 8 ILE QG1 9 ARG+ H 3.71 #peak 654 # 8 ILE QG1 9 ARG+ HA 5.34 #peak 952 noise 8 ILE QG2 9 ARG+ H 3.55 #peak 653 #SUP 0.98 #QF 0.98 # 8 ILE QG2 9 ARG+ QD 4.55 #7/2 #peak 848 9 ARG+ H 10 ASP- H 4.59 #peak 664 #SUP 0.98 #QF 0.98 # 9 ARG+ H 10 ASP- HA 5.09 #7/16 #peak 662 #SUP 0.97 #QF 0.97 # 9 ARG+ H 10 ASP- QB 5.27 #7/16 #peak 659 prob to H2O 9 ARG+ HA 10 ASP- H 2.89 #peak 348 #SUP 0.82 #QF 0.82 9 ARG+ QB 10 ASP- H 3.67 #peak 351 #SUP 0.97 #QF 0.97 9 ARG+ QG 10 ASP- H 4.45 #peak 350 #SUP 1.00 # 9 ARG+ QB 11 THR QG2 4.82 #peak 946 #SUP 0.48 #QF 0.48 chemical shifts off 10 ASP- H 11 THR H 4.49 #peak 240 #SUP 0.99 #QF 0.99 # 10 ASP- H 11 THR QG2 4.60 #7/16 #peak 349 #SUP 0.90 #QF 0.90 # 10 ASP- HA 11 THR QG2 4.51 #peak 482 #SUP 0.93 #QF 0.93 # 10 ASP- HB2 11 THR H 4.23 #peak 246 #SUP 0.97 #QF 0.97 # 10 ASP- HB3 11 THR H 4.23 #peak 245 #SUP 0.88 #QF 0.88 10 ASP- QB 11 THR H 4.06 #07172015+0.5 #7/2 #peak 245 Use QB ? no stereos of bs 10 ASP- HA 12 LYS+ H 4.43 #peak 801 #SUP 0.65 #QF 0.65 # 10 ASP- QB 12 LYS+ H 4.45 #peak 798 not seen on 12 NH # 10 ASP- QB 12 LYS+ QB 4.66 #peak 1374 not seen 10 ASP- H 13 TRP HD1 4.18 #peak 352 #SUP 0.85 #QF 0.85 # 10 ASP- HA 13 TRP HE1 4.82 #7/2 #peak 836 #SUP 0.86 #QF 0.86 not seen # 10 ASP- HB2 13 TRP HD1 4.13 #peak 1669 #SUP 0.99 #QF 0.99 duplicate QB # 10 ASP- HB3 13 TRP HD1 4.13 #peak 1670 #SUP 0.93 #QF 0.93 duplicate QB # 10 ASP- QB 13 TRP H 4.70 #peak 725 O/L intra/not seen 10 ASP- QB 13 TRP HD1 3.53 #peak 1670 10 ASP- QB 13 TRP HE1 4.07 #peak 837 peak present # 11 THR H 12 LYS+ HA 4.78 #peak 244 #SUP 0.90 #QF 0.90 not seen at 800 MHz # 11 THR H 12 LYS+ HG2 4.81 #peak 248 #SUP 0.95 #QF 0.95 not seen at 800 MHz # 11 THR H 12 LYS+ HG3 4.81 #peak 249 #SUP 0.95 #QF 0.95 not seen at 800 MHz # 11 THR H 12 LYS+ QB 4.71 #peak 247 not seen at 800 MHz # 11 THR H 12 LYS+ QD 4.91 #peak 251 #SUP 0.95 #QF 0.95 not seen at 800 MHz # 11 THR H 12 LYS+ QG 4.01 #peak 249 not seen at 800 MHz # 11 THR HA 12 LYS+ HA 5.36 #peak 1372 #SUP 0.95 #QF 0.89 diagonal noise 11 THR HB 12 LYS+ H 4.81 #peak 803 #SUP 0.84 #QF 0.84 not there at 800MHz # 11 THR QG2 12 LYS+ H 4.34 v weak #peak 792 #SUP 0.98 #QF 0.98 not there at 800MHz 11 THR H 13 TRP HD1 5.24 #7/23+0.5 #peak 241 #SUP 0.79 #QF 0.79 weak not seen at 800MHz # 11 THR HA 13 TRP HD1 5.12 #7/21+0.5 #peak 1673 #SUP 0.96 #QF 0.79 very weak # 11 THR HA 13 TRP HE1 4.67 #7/5 #peak 835 #SUP 0.64 #QF 0.64 to W13a 11 THR HA 14 LEU QB 4.30 #peak 409 11 THR HA 14 LEU QD1 3.97 #peak 410 only to one QD of L14 # 11 THR HB 14 LEU HB2 5.14 #peak 1884 #SUP 0.97 #QF 0.97 duplicate QB # 11 THR HB 14 LEU HB3 5.14 #peak 406 #SUP 0.95 #QF 0.69 duplicate QB 11 THR HB 14 LEU QB 4.43 #peak 1884 no reciprocal on L14b 11 THR HB 14 LEU QD1 4.92 #peak 1882 11 THR QG2 14 LEU QD1 4.65 #peak 1719 # 11 THR HA 51 ILE QD1 5.26 #peak 1796 #SUP 0.97 #QF 0.97 not seen 11a,4.27 seen on QD # 11 THR HA 51 ILE QG2 4.82 #peak 864 #SUP 1.00 #QF 0.97 not seen 11a,weak on QG 11 THR HB 51 ILE QD1 3.67 #peak 1795 #SUP 0.99 #QF 0.99 11 THR HB 51 ILE QG1 5.29 #peak 406 not seen on QG1,seen on HB 11 THR HB 51 ILE QG2 4.30 #peak 1881 #SUP 0.99 #QF 0.99 O/L L14d xpk on HB,O/L own a 11 THR QG2 51 ILE QD1 3.63 #peak 1794 #SUP 0.99 #QF 0.99 11 THR QG2 51 ILE QG2 4.39 #peak 870 #SUP 0.98 #QF 0.98 12 LYS+ H 13 TRP H 4.04 #peak 732 #SUP 0.86 #QF 0.86 12 LYS+ H 13 TRP HD1 4.56 #peak 802 #SUP 0.76 #QF 0.76 # 12 LYS+ HA 13 TRP HA 5.50 #peak 1372 #SUP 0.95 #QF 0.89 noise # 12 LYS+ HB2 13 TRP H 4.32 #peak 724 #SUP 0.97 #QF 0.97 duplicate # 12 LYS+ HB3 13 TRP H 4.32 #peak 723 #SUP 1.00 duplicate 12 LYS+ QB 13 TRP H 3.65 #peak 724 # 12 LYS+ QD 13 TRP H 5.39 #peak 734 #SUP 0.98 #QF 0.98 not seen 12 LYS+ QG 13 TRP H 4.24 #peak 722 weak 12 LYS+ HA 15 THR QG2 3.5 #quite strong, reciprocal seen on side of 15QG2-own alpha 13 TRP H 14 LEU H 4.31 #peak 730 #SUP 0.92 #QF 0.92 13 TRP HD1 14 LEU QD1 5.21 #peak 274 weak 13 TRP HE1 14 LEU HG 5.50 #peak 842 #SUP 0.85 #QF 0.85 13 TRP HE1 14 LEU QD1 4.5 #peak 840 #SUP 0.92 #QF 0.92 QD1 stronger 13 TRP HE1 14 LEU QD2 5.17 #peak 841 #SUP 0.73 #QF 0.73 # 13 TRP HE1 14 LEU QQD 3.86 #peak 840 13 TRP HZ2 14 LEU QD1 4.2 #peak 1646 #SUP 0.99 #QF 0.99 QD1 stronger 13 TRP HZ2 14 LEU QD2 4.61 #peak 279 #SUP 0.99 #QF 0.99 # 13 TRP HZ2 14 LEU QQD 4.01 #peak 1646 13 TRP HZ3 14 LEU QD2 4.66 #peak 280 13 TRP HA 15 THR H 4.51 #peak 17 #SUP 0.60 #QF 0.60 seen at 800MHz 13 TRP HH2 54 PHE QD 4.39 #peak 1658 #SUP 0.88 #QF 0.88 only on one side ? close to diagonal 13 TRP HH2 54 PHE QE 4.31 #peak 1659 #SUP 0.87 #QF 0.87 only on one side ? close to diagonal 13 TRP HZ2 54 PHE QE 4.88 #peak 1661 #SUP 0.84 #QF 0.84 only on one side ? close to diagonal # 13 TRP HH2 57 LEU QQD 5.44 #07302015rm #peak 1655 at 0.602 (QD2) # 13 TRP HZ3 57 LEU QQD 5.41 #07302015rm #peak 293 at 0.602 (QD2) HZ2 also seen 13 TRP HE3 79 LEU QQD 4.45 #peak 1909 Peaks on L79 HD1 and HD2, nothing on HE3 13 TRP HZ3 79 LEU QQD 4.69 #peak 1682 #SUP 0.86 #QF 0.86 stronger 13 TRP HZ3 79 LEU QQD 4.69 #peak 1632 #SUP 0.91 #QF 0.91 weaker no reciprocal 13 TRP HA 82 ASN HB2 4.63 #peak 502 #SUP 0.82 #QF 0.82 close to 82a, own b 13 TRP HA 82 ASN HB3 4.29 #peak 504 #SUP 0.78 #QF 0.78 close to 82a, own b 13 TRP HE3 82 ASN HB3 4.86 #peak 1622 #SUP 0.99 #QF 0.94 # 13 TRP QB 82 ASN HB3 4.29 #peak 1032 too close to own b 13 TRP HE3 83 GLY H 4.46 #peak 212 #SUP 0.88 #QF 0.88 # 13 TRP HE3 83 GLY HA2 4.65 #peak 1563 #SUP 0.70 #QF 0.70 both present # 13 TRP HE3 83 GLY HA3 4.65 #peak 1562 #SUP 0.83 #QF 0.83 both present on G83 13 TRP HE3 83 GLY QA 4.08 #peak 1562 14 LEU H 15 THR H 4.10 #peak 14 #SUP 0.81 #QF 0.81 14 LEU QB 15 THR H 4.41 #peak 254 # 14 LEU QB 15 THR HA 5.05 #peak 418 not seen ? leave out # 14 LEU QB 15 THR HB 5.34 #peak 422 not seen ? leave out # 14 LEU HA 51 ILE QD1 5.19 #07172015rm #peak 865 #SUP 0.94 #QF 0.94 no reciprocal 14 LEU QB 51 ILE QG2 4.54 #peak 624 #SUP 0.86 #QF 0.86 very overlapped with own # 14 LEU HB3 51 ILE QG2 4.54 #peak 625 #SUP 0.92 #QF 0.92 very overlapped with own 14 LEU QD2 51 ILE QG2 4.54 14 LEU HA 52 ALA QB 4.20 #peak 1818 #SUP 0.99 #QF 0.99 # 14 LEU QB 52 ALA H 4.08 #peak 299 O/L I51 sc 14 LEU QB 52 ALA QB 4.92 #peak 628 not seen 14 LEU QD1 52 ALA QB 5.10 #peak 1814 #SUP 0.99 #QF 0.99 14 LEU QD2 52 ALA QB 4.5 #peak 1813 #SUP 1.00 QD2 stronger # 14 LEU QQD 52 ALA QB 3.98 #peak 1813 duplicate # 14 LEU HA 54 PHE QD 5.50 #peak 1514 #SUP 0.50 #QF 0.50 not seen 14 LEU QD1 54 PHE H 4.84 #peak 777 #SUP 0.92 #QF 0.92 14 LEU QD1 54 PHE HA 4.66 #peak 1598 #SUP 0.99 #QF 0.99 QD2 stronger 14 LEU QD1 54 PHE QB 4.66 #peak 272 #SUP 1.00 F54bs indistinguishable # 14 LEU QD1 54 PHE HB3 4.66 #peak 273 #SUP 1.00 F54bs indistinguishable 14 LEU QD1 54 PHE QD 4.20 #strengthen 4.2 #peak 275 #SUP 0.99 #QF 0.99 QD2 stronger 14 LEU QD2 54 PHE H 4.84 #peak 87A523 #SUP 0.92 #QF 0.92 14 LEU QD2 54 PHE HA 4.66 #peak 1599 #SUP 1.00 14 LEU QD2 54 PHE QB 4.66 #peak 277 #SUP 0.99 #QF 0.99 F54bs indistinguishable # 14 LEU QD2 54 PHE HB3 4.66 #peak 1843 #SUP 0.99 #QF 0.99 F54bs indistinguishable 14 LEU QD2 54 PHE QD 4.40 # strengthen 4.0 #peak 278 #SUP 1.00 # 14 LEU QQD 54 PHE H 4.20 #peak 777 duplicate # 14 LEU QQD 54 PHE HA 3.89 #peak 1599 duplicate # 14 LEU QQD 54 PHE QB 3.60 #peak 277 duplicate # 14 LEU QQD 54 PHE QD 3.79 #peak 278 duplicate # 14 LEU QD1 54 PHE QE 5.44 #peak 274 prob to W13 HE3 # 14 LEU HA 57 LEU QQD 4.27 #7/12 #peak 1722 #SUP 1.00 #QF 0.80 duplicate # 14 LEU HA 57 LEU QQD 3.66 #7/12 #peak 1722 reciprocal O/L own a 14 LEU HG 57 LEU QQD 5.44 #peak 617 no reciprocal 14 LEU QD2 57 LEU QQD 3.44 #peak 643 quite strong 14 LEU QD2 57 LEU QQD 4.5 #peak 643 weaker # 14 LEU QD2 79 LEU QB 5.01 #peak 714 not seen to L79b ? strong peaks to L79ds # 14 LEU QQD 79 LEU HB3 5.44 #peak 713 14 LEU HA 79 LEU QQD 4 # has reciprocal, relatively strong 14 LEU QD2 79 LEU QQD 4 # has reciprocal, relatively strong 14 LEU QD2 79 LEU QQD 4 # has reciprocal, relatively strong 15 THR QG2 16 LEU H 3.88 #peak 120 #SUP 0.91 #QF 0.91 # 15 THR QG2 16 LEU HA 4.37 #peak 1875 #SUP 0.73 #QF 0.73 0.97 # 15 THR QG2 17 GLU- HA 4.27 #7/2 #peak 1830 #SUP 0.99 #QF 0.99 to 49a # 15 THR HB 49 ARG+ HB2 4.36 #peak 424 #SUP 0.93 #QF 0.93 # 15 THR HB 49 ARG+ HB3 4.36 #peak 423 #SUP 0.99 #QF 0.99 15 THR HB 49 ARG+ QD 5.43 #peak 420 #SUP 0.97 #QF 0.97 15 THR HB 49 ARG+ QG 5.50 #peak 422 #SUP 0.93 #QF 0.40 15 THR HB 49 ARG+ QB 3.75 #peak 423 USE QB # 15 THR QG2 49 ARG+ H 4.42 #7/5 #peak 680 #SUP 0.98 #QF 0.98 15 THR QG2 49 ARG+ HA 4.64 #07162015+0.5 #peak 1831 #SUP 1.00 # 15 THR QG2 49 ARG+ HB2 3.48 #peak 1828 #SUP 0.99 #QF 0.99 use QB # 15 THR QG2 49 ARG+ HB3 3.48 #peak 1832 #SUP 0.99 #QF 0.99 use QB 15 THR QG2 49 ARG+ QD 4.39 #7/2 #peak 1789 #SUP 0.99 #QF 0.99 USE QD # 15 THR QG2 49 ARG+ HD3 3.58 #peak 1713 #SUP 1.00 15 THR QG2 49 ARG+ QG 4.51 #peak 988 #SUP 0.96 #QF 0.96 15 THR QG2 49 ARG+ QB 2.96 #peak 1832USE QB 15 THR HA 50 VAL H 4.54 #peak 68 #SUP 0.49 #QF 0.49 15 THR HB 50 VAL H 5.44 #peak 593 #SUP 0.98 #QF 0.95 # 15 THR QG2 50 VAL H 3.82 #peak 596 #SUP 0.92 #QF 0.92 O/L V50g 15 THR HA 51 ILE HA 3.85 #peak 417 #SUP 0.99 #QF 0.94 reciprocal O/L 15HB 15 THR HA 51 ILE QG1 5.50 #peak 418 #SUP 0.82 #QF 0.59 15 THR HA 51 ILE QD1 5.29 #7/5 #peak 1798 #SUP 0.98 #QF 0.98 SEEN 15 THR HA 51 ILE QG2 4.46 #peak 867 #SUP 0.93 #QF 0.93 15 THR QG2 51 ILE HA 3.33 #peak 426 #SUP 0.99 #QF 0.99 reciprocal o/l 15HB 15 THR QG2 51 ILE QD1 3.49 #7/2 #peak 1793 #SUP 0.87 #QF 0.87 SEEN 15 THR QG2 51 ILE QG1 3.58 #peak 1829 15 THR QG2 51 ILE QG2 4.01 #peak 871 #SUP 0.98 #QF 0.96 15 THR HA 52 ALA H 4.65 #peak 297 #SUP 0.65 #QF 0.65 # 16 LEU HA 17 GLU- HA 5.02 #peak 541 #SUP 0.74 #QF 0.74 diagonal noise 16 LEU QB 17 GLU- H 4.43 #peak 151 #SUP 0.53 #QF 0.53 # 16 LEU HB3 17 GLU- HA 4.70 #7/12 #peak 232 #SUP 0.66 #QF 0.66 # 16 LEU HB3 17 GLU- QB 4.69 #peak 546 #SUP 0.56 #QF 0.56 # 16 LEU HB3 17 GLU- QG 5.04 #peak 542 #SUP 0.59 #QF 0.59 # 16 LEU QD2 17 GLU- QB 5.50 #peak 549 #SUP 0.95 #QF 0.60 16 LEU HA 37 ALA QB 5.0 #07162015+0.5 16 LEU QB 37 ALA QB 4.19 #peak 936 #SUP 0.67 #QF 0.67 16 LEU HB3 37 ALA QB 5.06 #peak 935 #SUP 0.90 #QF 0.90 0.98 16 LEU H 50 VAL QG2 4.43 #peak 122 #SUP 0.72 #QF 0.72 close to L16ds # 16 LEU HB2 50 VAL QQG 3.79 #peak 104 #SUP 0.97 #QF 0.87 lots of overlap # 16 LEU HB3 50 VAL H 4.67 #7/5 #peak 598 #SUP 0.61 #QF 0.61 O/L R49g 16 LEU QB 50 VAL QQG 4.18 #peak 103 #SUP 0.92 #QF 0.92 lots of overlap # 16 LEU QD1 72 PRO HD2 5.18 #peak 1152 #SUP 0.99 #QF 0.48 no reciprocal on 16QD1 16 LEU QB 75 LEU QQD 4.26 #peak 1836 overlapped peaks on L75QD 16 LEU QB 75 LEU QB 4.5 # added # 16 LEU QD1 75 LEU H 5.50 #peak 562 #SUP 0.99 #QF 0.42 not seen 16 LEU QD1 75 LEU QB 4.91 #peak 683 #SUP 0.88 #QF 0.62 only one b seen, no b stereos # 16 LEU QD1 75 LEU HB3 5.12 #peak 684 #SUP 0.86 #QF 0.64 only one b seen, no b stereos # 16 LEU QD1 75 LEU QQD 3.66 #peak 1834 #SUP 0.84 #QF 0.84 # 16 LEU QD1 75 LEU QQD 3.66 #peak 1927 #SUP 0.94 #QF 0.94 16 LEU QD1 75 LEU QQD 3.16 #peak 1927 Use QQD 75d chemical shifts too close to tell 16 LEU QD2 75 LEU QB 5.50 #peak 682 #SUP 0.88 #QF 0.88 # 16 LEU QD2 75 LEU QQD 4.43 #peak 1858 #SUP 0.95 #QF 0.94 # 16 LEU QD2 75 LEU QQD 4.43 #peak 1928 #SUP 0.99 #QF 0.99 16 LEU QD2 75 LEU QQD 3.24 #peak 1858 Use QQD 75d chemical shifts too close to tell 16 LEU QD1 78 GLN H 5.50 #peak 65 #SUP 0.98 #QF 0.82 # 16 LEU QD1 78 GLN HG2 5.50 #peak 99 #SUP 0.66 #QF 0.66 not seen 16 LEU QD2 78 GLN H 5.29 #peak 64 #SUP 0.85 #QF 0.85 not seen 16 LEU QD2 78 GLN QG 5.03 #peak 611 #SUP 0.76 #QF 0.55 78hgs too close to distinguish # 16 LEU QD2 78 GLN HG3 4.23 #peak 612 #SUP 0.97 #QF 0.97 16 LEU QD2 78 GLN QB 3.48 #peak 1869 #SUP 0.94 #QF 0.94 # 17 GLU- HA 18 VAL QQG 4.03 #peak 822 17 GLU- QB 18 VAL H 4.37 #peak 611 #SUP 1.00 # 17 GLU- QB 18 VAL QQG 3.52 #7/2 #peak 1862 not seen 17 GLU- QG 18 VAL H 4.57 #peak 610 #SUP 0.91 #QF 0.91 # 17 GLU- QG 18 VAL QQG 5.44 #peak 1863 not seen # 17 GLU- QB 36 PHE HA 5.16 #peak 1289 #SUP 0.79 #QF 0.79 17 GLU- QB 36 PHE QD 4.10 #peak 9 #SUP 0.56 #QF 0.56 no reciprocal on F36d, but on F36e possibly, best reciprocal is F22e ? possible assignment for F36z? 17 GLU- QB 37 ALA H 4.60 #peak 333 #SUP 0.76 #QF 0.76 not seen # 17 GLU- HA 49 ARG+ H 4.08 #07162015rm #7/2 #peak 673 #SUP 0.92 #QF 0.92 not seen 17 GLU- HA 49 ARG+ HA 3.60 #peak 1904 #SUP 0.98 #QF 0.98 # 17 GLU- HA 49 ARG+ HD2 5.50 #7/2 #peak 233 #SUP 0.96 #QF 0.96 not seen on 17a # 17 GLU- HA 49 ARG+ HD3 5.50 #7/2 #peak 234 #SUP 0.98 #QF 0.98 not seen on 17a 17 GLU- HA 49 ARG+ QG 4.90 #peak 1020 #SUP 0.97 #QF 0.97 # 17 GLU- HA 49 ARG+ HG2 4.90 also seen with reciprocal 17 GLU- HA 49 ARG+ QB 4.21 #peak 1898 much weaker than hg1, hg2 # 17 GLU- QB 49 ARG+ H 5.25 #07162015rm #7/5 #peak 679 #SUP 0.99 #QF 0.83 17 GLU- QB 49 ARG+ HA 4.36 #peak 1902 #SUP 1.00 17 GLU- QB 49 ARG+ QG 5.50 #peak 545 #SUP 0.96 #QF 0.67 no reciprocal on 17b # 17 GLU- QB 49 ARG+ QB 4.86 #peak 545 not seen # 17 GLU- QG 49 ARG+ QB 5.34 #peak 543 not seen 17 GLU- HA 50 VAL H 4.15 #peak 594 #SUP 0.97 #QF 0.97 17 GLU- HA 50 VAL QQG 5.11 #peak 540 #SUP 0.99 #QF 0.96 same peak as 17a-18g, no reciprocal on correct 50g # 17 GLU- HA 50 VAL QG1 4.22 #7/2 #peak 787 #SUP 0.41 #QF 0.41 peak on 50qg2 but not on 17a 18 VAL QG1 22 PHE QD 4.52 #peak 1552 18 VAL QG1 22 PHE QE 5.44 #peak 1544 seen on one V18g, not on 22e # 18 VAL HB 23 GLN HG2 5.50 #peak 1774 #SUP 0.93 #QF 0.93 # 18 VAL HB 23 GLN HG3 5.50 #peak 1773 #SUP 0.83 #QF 0.83 18 VAL HB 23 GLN QE2 5.34 #peak 881 # 18 VAL HB 23 GLN QG 4.82 #peak 1774 18 VAL QG1 23 GLN QE2 4.72 #peak 883 #SUP 0.97 #QF 0.92 # 18 VAL QG1 23 GLN HE22 4.72 #peak 884 #SUP 0.92 #QF 0.92 18 VAL QG1 23 GLN QG 4.84 #peak 1770 #SUP 1.00 # 18 VAL QG1 23 GLN HG3 4.84 #peak 1772 #SUP 1.00 #QF 0.80 # 18 VAL QG2 23 GLN HE21 4.72 #peak 882 #SUP 0.98 #QF 0.98 # 18 VAL QG2 23 GLN HE22 4.72 #peak 885 #SUP 0.94 #QF 0.94 # 18 VAL QG2 23 GLN HG2 4.84 #peak 1823 #SUP 1.00 # 18 VAL QG2 23 GLN HG3 4.84 #peak 816 #SUP 1.00 18 VAL QQG 23 GLN QB 5.02 #peak 564 # 18 VAL QQG 23 GLN QE2 3.14 #peak 883 duplicate # 18 VAL QQG 23 GLN QG 3.11 #peak 1823 duplicate # 18 VAL HA 36 PHE QB 4.56 #peak 1711 no reciprocal on V18a probably to A37a 18 VAL HA 37 ALA H 3.76 #peak 337 #SUP 1.00 #QF 0.93 O/L A37a 18 VAL HA 37 ALA QB 2.94 #peak 173 #SUP 0.72 #QF 0.42 reciprocal O/L 37a # 18 VAL HB 37 ALA H 5.37 #peak 332 #SUP 0.95 #QF 0.95 not seen 18 VAL QQG 37 ALA H 4.41 #peak 330 18 VAL QQG 37 ALA HA 5.36 #peak 464 reciprocal O/L V18a # 18 VAL QQG 38 HIS H 5.04 #peak 739 weak peak probably not # 18 VAL HA 39 PRO QD 4.67 #peak 1712 dodgy, reciprocal on V18a under noise 18 VAL HB 39 PRO QD 4.51 #peak 811 no reciprocals # 18 VAL QG1 39 PRO QG 4.00 #peak 1860 #SUP 0.93 #QF 0.93 # 18 VAL QG2 39 PRO QG 4.00 #peak 1341 #SUP 1.00 # 18 VAL QQG 39 PRO QB 4.12 #peak 1756 many possibilities 18 VAL QQG 39 PRO QG 3.28 #peak 1341 # 18 VAL QQG 39 PRO HG3 3.99 #peak 1337 18 VAL QQG 39 PRO QD 3.38 #peak 819 18 VAL HB 45 VAL QQG 3.94 #peak 802peaks present on V45QQG, reciprocal O/L V18QQG # 18 VAL QQG 46 GLU- H 3.09 #7/5 #peak 477 probably 46N-45g # 18 VAL QQG 46 GLU- QG 5.44 #7/2 #peak 95 O/L V18HB, no reciprocal # 18 VAL QQG 47 ASN H 5.36 #7/12 #peak 892 not seen # 18 VAL QQG 48 GLY HA2 4.05 #peak 1803V18gs not lined up well, but what about V18b? 18 VAL H 49 ARG+ HA 4.85 #peak 609 #SUP 0.95 #QF 0.95 18 VAL QQG 49 ARG+ H 3.85 #peak 86 18 VAL QQG 49 ARG+ HA 3.97 #peak 1867 18 VAL QQG 49 ARG+ HD2 5.22 #peak 221 dodgy, no reciprocals 18 VAL QQG 49 ARG+ QD 5.44 #peak 118 dodgy, no reciprocals 18 VAL H 50 VAL H 4.97 #peak 589 #SUP 0.99 #QF 0.44 # 18 VAL HA 50 VAL QG2 4.24 #08032015rm #peak 771 #SUP 1.00 #QF 0.98 reciprocal O/L 18QG # 18 VAL HB 50 VAL QG2 4.16 #7/2 #peak 782 #SUP 0.52 #QF 0.52 too overlapped # 18 VAL HB 50 VAL QG1 4.31 #peak 791 #SUP 0.97 #QF 0.97 too overlapped # 18 VAL QG1 50 VAL HA 5.50 #peak 1866 #SUP 0.98 #QF 0.98 very weak on one QG # 18 VAL QG1 50 VAL HB 4.20 #peak 1776 #SUP 1.00 #QF 0.87 too overlapped # 18 VAL QG2 50 VAL HA 5.50 #7/5 #peak 1475 #SUP 0.41 #QF 0.41 not seen # 18 VAL QG2 50 VAL HB 4.20 #peak 815 #SUP 0.99 #QF 0.99 too overlapped # 18 VAL QQG 50 VAL HA 4.18 #7/5 #peak 1866 duplicate # 18 VAL QQG 50 VAL HB 3.11 #peak 1776 duplicate # 18 VAL QQG 50 VAL QG1 3.04 #7/5 #peak 794 too overlapped # 19 CYSZ QB 27 CYS- HA 5.34 #7/2 #peak 1620 not seen # 19 CYSZ QB 27 CYS- QB 5.12 #peak 1618 not seen # 19 CYSZ QB 36 PHE QB 4.35 #peak 1674 not seen 19 CYSZ H 37 ALA H 4.61 #peak 339 #SUP 0.87 #QF 0.87 19 CYSZ QB 37 ALA H 4.79 #peak 335 19 CYSZ QB 38 HIS HD2 3.5 #strong # 20 ARG+ QD 21 GLU- HA 5.29 #peak 266 #SUP 0.69 #QF 0.69 # 21 GLU- HA 25 GLY H 4.06 #peak 187 #SUP 0.40 #QF 0.40 too close to G25a # 21 GLU- QG 25 GLY H 5.04 #7/16 #peak 189 #SUP 0.73 #QF 0.73 too close to 23QG 21 GLU- QB 26 THR H 4.95 #peak 218 #SUP 0.86 #QF 0.43 weak 21 GLU- QB 26 THR HA 5.24 #peak 1749 #SUP 0.42 #QF 0.42 strong, reciprocal # 21 GLU- QB 27 CYS- HB2 5.02 #peak 1748 #SUP 0.81 #QF 0.81 # 21 GLU- QB 27 CYS- HB3 5.02 #peak 1747 #SUP 0.69 #QF 0.69 21 GLU- QB 27 CYS- QB 4.25 #peak 1747 USE QB ? no stereos 22 PHE QD 23 GLN H 4.79 #peak 457 #SUP 0.99 #QF 0.99 22 PHE QD 23 GLN HA 4.85 #peak 1919 #SUP 0.94 #QF 0.80 reciprocal on QD weak 22 PHE HA 27 CYS- QB 4.67 #peak 1427 reciprocal on b overlapped # 22 PHE HB2 27 CYS- HA 4.62 #7/2 #peak 352 #SUP 0.77 #QF 0.77 alphas overlapped 22 PHE QB 27 CYS- QB 5.31 #peak 1035 lots of noise, reciprocal overlapped 22 PHE QD 27 CYS- QB 4.31 #peak 1490 reciprocal on QD o/l reciprocal on b overlapped 22 PHE QB 38 HIS HE1 5.50 #peak 1505 #SUP 0.77 #QF 0.77 no reciprocal on F22hb 22 PHE QD 38 HIS HA 4.77 #peak 1550 #SUP 0.96 #QF 0.96 22 PHE QD 38 HIS HE1 5.50 #peak 1502 #SUP 0.95 #QF 0.95 no reciprocal on F22QD # 22 PHE QD 38 HIS QB 5.34 #peak 1491 not seen 22 PHE QE 38 HIS HA 4.83 #peak 325 #SUP 0.92 #QF 0.92 22 PHE QD 39 PRO QD 4.49 #peak 1555 22 PHE QE 39 PRO QD 5.50 #peak 1557 #SUP 0.82 #QF 0.82 # 22 PHE QE 39 PRO HD3 5.50 #peak 1558 #SUP 0.69 #QF 0.69 22 PHE QE 39 PRO QG 5.0 # peak + reciprocal # 23 GLN QE2 45 VAL HB 4.06 #peak 880 shoulder on Q23b # 23 GLN QE2 45 VAL QQG 4.08 #peak 883 same peak as previously assigned to V18QQG # 23 GLN QG 45 VAL QQG 4.19 #peak 803? Previously assigned to V18QQG reciprocal on 45 is off 23 GLN H 24 ARG+ H 4 #about 4 24 ARG+ H 25 GLY H 3.74 #peak 182 #SUP 0.84 #QF 0.84 24 ARG+ QB 25 GLY H 3.69 #peak 190 #SUP 0.93 #QF 0.93 24 ARG+ H 26 THR H 4.71 #peak 214 #SUP 0.68 #QF 0.68 # 24 ARG+ HA 26 THR QG2 4.70 #peak 571 #SUP 0.77 #QF 0.77 weak no reciprocal on 26g 24 ARG+ QB 26 THR H 5.42 #peak 218 #SUP 0.86 #QF 0.43 24 ARG+ QB 26 THR QG2 4.84 #peak 1689 #SUP 0.88 #QF 0.88 25 GLY H 26 THR H 4.2 #2/2 3.73 #peak 183 #SUP 0.90 #QF 0.90 # 25 GLY H 26 THR HA 5.03 #2/12/2015rm #peak 184 #SUP 0.73 #QF 0.73 O/L 24HA # 25 GLY H 26 THR QG2 4.21 #peak 191 #SUP 0.96 #QF 0.96 # 25 GLY HA2 26 THR QG2 4.71 #peak 367 #SUP 0.95 #QF 0.95 # 25 GLY HA3 26 THR QG2 4.71 #peak 1802 #SUP 0.95 #QF 0.95 # 25 GLY QA 26 THR HA 4.98 #peak 366 # 25 GLY QA 26 THR QG2 4.15 #peak 367 duplicate # 26 THR H 27 CYS- QB 5.34 #peak 217 # 26 THR HA 27 CYS- QB 4.18 #7/2 #peak 1488 # 27 CYS- HB3 38 HIS HE1 5.50 #7/16 #peak 1506 #SUP 0.99 #QF 0.99 duplicate 27 CYS- QB 38 HIS HE1 4.77 #7/2 #peak 1493 this looks OK? # 28 SER HB2 29 ARG+ H 5.08 #7/17 #peak 81 #SUP 0.80 #QF 0.44 R29N not seen # 28 SER HB2 29 ARG+ HA 4.99 #7/17 #peak 238 #SUP 0.61 #QF 0.61 # 28 SER HB3 29 ARG+ H 5.08 #7/17 #peak 80 #SUP 0.82 #QF 0.82 R29N not seen # 28 SER HB3 29 ARG+ HA 4.99 #7/17 #peak 239 #SUP 0.68 #QF 0.68 # 28 SER QB 29 ARG+ H 4.26 #7/17 #peak 80 R29N not seen # 28 SER QB 29 ARG+ HA 4.30 #7/17 #peak 238 # 29 ARG+ H 30 PRO QD 5.03 #7/17 #peak 82 R29N not seen 29 ARG+ HA 30 PRO QD 3.58 #7/17 #peak 1809 #SUP 0.99 #QF 0.99 seems OK? # 29 ARG+ HA 30 PRO HD3 3.58 #7/17 #peak 1810 #SUP 0.98 #QF 0.98 seems OK? 29 ARG+ QB 30 PRO QD 3.90 #peak 1072 #SUP 1.00 #QF 0.96 all these prob too tight # 29 ARG+ QB 30 PRO HD3 3.90 #peak 1070 #SUP 1.00 #QF 0.98 # 29 ARG+ QB 30 PRO QD 3.38 #7/17 #peak 1072 duplicate # 29 ARG+ QD 30 PRO QD 4.66 #7/17 #peak 1933 duplicate # 29 ARG+ QB 31 ASP- HA 5.50 #7/17 #peak 253 #SUP 0.54 #QF 0.54 not seen # 29 ARG+ HA 33 GLU- HB3 4.20 #7/17 #peak 115 #SUP 0.68 #QF 0.68 # 29 ARG+ QB 34 CYS- H 4.37 #7/17 #peak 145 #SUP 0.52 #QF 0.52 # 29 ARG+ QB 38 HIS HE1 4.96 #7/16 #peak 1508 #SUP 0.81 #QF 0.70 30 PRO HA 31 ASP- H 2.88 #peak 830 #SUP 0.78 #QF 0.78 # 30 PRO HB2 31 ASP- H 3.60 #peak 823 #SUP 0.82 #QF 0.82 # 30 PRO HB3 31 ASP- H 3.60 #7/2 #peak 825 #SUP 0.88 #QF 0.88 30 PRO QB 31 ASP- H 3.11 #7/2 #peak 825 USE QB # 30 PRO QB 31 ASP- QB 4.87 #peak 1785 not seen # 30 PRO QD 31 ASP- H 5.03 #peak 827 not seen 30 PRO HA 32 THR H 4.68 #peak 222 #SUP 0.95 #QF 0.95 30 PRO QG 32 THR H 3.61 #peak 230 #SUP 0.80 #QF 0.80 30 PRO QB 32 THR H 3.60 #peak 228 30 PRO HA 33 GLU- H 5.38 #peak 460 #SUP 0.98 #QF 0.98 30 PRO HA 33 GLU- QB 5.50 #7/2 #peak 1096 #SUP 0.89 #QF 0.89 seems OK (reciprocal O/L) # 30 PRO HD2 33 GLU- HB2 3.93 #peak 1811 #SUP 0.99 #QF 0.99 # 30 PRO HD3 33 GLU- HB2 4.43 #7/23+0.5 #peak 1812 #SUP 0.99 #QF 0.99 # 30 PRO QG 33 GLU- H 4.25 #peak 463 #SUP 0.90 #QF 0.63 o/l own g # 30 PRO QG 33 GLU- QB 4.16 #peak 1766 #SUP 0.95 #QF 0.85 not seen 30 PRO QB 33 GLU- H 4.31 #peak 461 30 PRO QD 33 GLU- QB 3.93 #7/21+0.5 #peak 1811 # 30 PRO QD 33 GLU- HB3 3.49 #peak 1071 30 PRO QD 33 GLU- QG 4.48 #peak 1775 # 30 PRO HA 38 HIS HE1 5.50 #7/12+0.5 #7/16 #peak 1503 #SUP 0.82 #QF 0.82 # 30 PRO QB 38 HIS HE1 5.34 #7/2 #peak 1508 v weak, no reciprocal? 31 ASP- H 32 THR H 3.49 #peak 356 #SUP 1.00 # 31 ASP- H 32 THR HA 5.44 #peak 829 #SUP 0.85 #QF 0.85 # 31 ASP- H 32 THR QG2 4.21 #peak 822 #SUP 0.84 #QF 0.84 31 ASP- QB 32 THR H 3.67 #peak 227 #SUP 0.95 #QF 0.95 # 31 ASP- QB 32 THR QG2 4.41 #peak 1857 #SUP 0.99 #QF 0.99 31 ASP- H 33 GLU- H 5.03 #peak 355 #SUP 0.97 #QF 0.97 on 31 only 31 ASP- HA 34 CYS- H 5.0 # aN(i,i+3) 31 ASP- H 38 HIS HE1 5.01 #7/12+0.5 #peak 354 #SUP 0.82 #QF 0.82 weak 31 ASP- HA 38 HIS HE1 4.55 #peak 1920 #SUP 0.99 #QF 0.99 31 ASP- HA 38 HIS QB 4.52 #peak 254 31 ASP- QB 38 HIS HE1 5.50 #peak 1507 #SUP 0.96 #QF 0.52 no reciprocal on D31QB 31 ASP- QB 38 HIS QB 4.22 #peak 255 one peak visible 31QB and 38QB overlapped # 31 ASP- QB 72 PRO HB2 5.50 #peak 1785 #SUP 0.86 #QF 0.78 no reciprocal on P72b # 31 ASP- QB 72 PRO QG 4.65 #peak 256 #SUP 0.85 #QF 0.85 no reciprocal on D31b # 31 ASP- QB 72 PRO HG3 4.34 #peak 310 #SUP 0.95 #QF 0.95 USE QG 32 THR H 33 GLU- H 3.72 #peak 221 #SUP 0.98 #QF 0.98 # 32 THR H 33 GLU- HA 5.47 #peak 224 #SUP 0.97 #QF 0.97 O/L # 32 THR H 33 GLU- HB2 5.03 #peak 231 #SUP 0.87 #QF 0.87 = P30b 32 THR QG2 33 GLU- H 4.69 #peak 465 #SUP 0.93 #QF 0.93 32 THR HA 34 CYS- H 4.78 #peak 149 #SUP 0.69 #QF 0.69 very weak 32 THR HB 34 CYS- H 5.00 #07172015+0.5 #07162015+0.5 #stronger than alpha # 32 THR HA 34 CYS- QB 5.45 #2/2/2015rm #peak 267 #SUP 0.67 #QF 0.67 32 THR H 72 PRO HB3 4.67 #peak 11 #SUP 0.65 #QF 0.65 peak at 2.337 # 32 THR HA 72 PRO HB2 4.09 #peak 1892 #SUP 1.00 32 THR HA 72 PRO QB 4.11 #peak 1893 #SUP 1.00 # 32 THR HA 72 PRO HG2 4.04 #peak 1191 #SUP 1.00 #QF 0.87 32 THR HA 72 PRO QG 4.07 #peak 1192 #SUP 1.00 #QF 0.80reciprocal O/L 32HA # 32 THR HB 72 PRO HB2 4.74 #peak 1886 #SUP 1.00 32 THR HB 72 PRO QB 4.78 #peak 230 #SUP 0.66 #QF 0.66 32 THR HB 72 PRO QG 5.50 #peak 1885 #SUP 0.99 #QF 0.98 32 THR QG2 72 PRO HA 4.44 #peak 1186 #SUP 1.00 # 32 THR QG2 72 PRO HB2 3.57 #peak 1855 #SUP 1.00 32 THR QG2 72 PRO QB 3.60 #peak 1856 #SUP 1.00 32 THR QG2 72 PRO QG 4.63 #peak 1854 #SUP 1.00 not seen on P72 HGs # 32 THR QG2 72 PRO HG3 3.76 #peak 1853 #SUP 0.98 #QF 0.98 # 32 THR HB 73 PRO HG2 5.50 #peak 1885 #SUP 0.99 #QF 0.98 same peak as 32hb-p72g, no reciprocal on p73gs 32 THR QG2 73 PRO QD 4.39 #peak 1213 #SUP 1.00 seen on P73d, reciprocal o/l T32a # 32 THR QG2 73 PRO HD3 4.39 #peak 1214 #SUP 1.00 # 32 THR QG2 73 PRO HG2 4.64 #peak 1222 #SUP 0.90 #QF 0.90 no peak on P73g # 32 THR QG2 73 PRO HG3 5.05 #peak 1221 #SUP 1.00 32 THR HA 74 HIS HE1 3.87 #peak 244 #SUP 0.99 #QF 0.99 32 THR HB 74 HIS HE1 5.50 #peak 1511 #SUP 0.97 #QF 0.97 32 THR QG2 74 HIS HE1 5.17 #peak 246 #SUP 1.00 33 GLU- H 34 CYS- H 3.87 #peak 117 #SUP 0.89 #QF 0.89 33 GLU- QB 34 CYS- H 4.02 #peak 144 #SUP 0.84 #QF 0.84 # 33 GLU- HB3 34 CYS- H 4.06 #peak 146 #SUP 0.94 #QF 0.91 # 33 GLU- HB3 34 CYS- HA 4.62 #peak 1616 #SUP 0.62 #QF 0.52 # 33 GLU- QG 34 CYS- HA 5.11 #peak 1616 #SUP 0.62 #QF 0.52 34 CYS- H 35 LYS+ H 4.86 #peak 820 #SUP 0.85 #QF 0.85 # 35 LYS+ HA 75 LEU QQD 4.45 #peak 283 couldn?t really see it (K35HA v weak) # 36 PHE HA 37 ALA HA 4.97 #peak 468 #SUP 0.88 #QF 0.88 # 36 PHE HB2 37 ALA H 4.47 #peak 334 #SUP 0.95 #QF 0.95 # 36 PHE HB3 37 ALA H 4.47 #peak 336 #SUP 0.93 #QF 0.93 36 PHE QB 37 ALA H 3.74 #peak 336 # 36 PHE QB 37 ALA HA 5.14 #peak 467 36 PHE QD 37 ALA H 4.42 #peak 25 #SUP 0.67 #QF 0.67 QD chemical shift off # 36 PHE QB 50 VAL QG2 5.34 #07162015rm #peak 774 37 ALA QB 38 HIS H 4.12 #peak 738 #SUP 0.99 #QF 0.99 37 ALA QB 39 PRO HA 4.89 #7/2 #peak 1310 #SUP 0.93 #QF 0.93 seen with reciprocal? 37 ALA QB 39 PRO QD 4.45 #peak 1878 #SUP 0.97 #QF 0.97 reciprocal on QB ? only one d # 37 ALA QB 39 PRO HD3 4.45 #peak 1879 #SUP 0.99 #QF 0.99 37 ALA QB 39 PRO QG 4.56 #7/23+0.5 #peak 1339 #SUP 0.99 #QF 0.99 # 37 ALA QB 39 PRO HG3 4.17 #peak 1826 #SUP 0.90 #QF 0.64 # 37 ALA QB 39 PRO QD 3.91 #peak 1878 # 37 ALA H 50 VAL QG2 4.32 #peak 329 #SUP 0.95 #QF 0.95 possibly, many o/l methyls ? check all other instances of methyl to 37HN leave out this time # 37 ALA HA 50 VAL QG2 4.83 #peak 771 #SUP 1.00 #QF 0.98 maybe ? check other instances ? reciprocal on V50g dodgy chemical shifts and reciprocals say A37HA-L69QD1 and L75QD1 # 37 ALA QB 50 VAL HB 4.19 #peak 1833 #SUP 0.68 #QF 0.68 chemical shifts are off looks more like 69 and 75 methyls # 37 ALA QB 50 VAL QG2 3.14 #peak 780 #SUP 0.91 #QF 0.91 many peaks overlapped, A37QB close to V50QGs 37 ALA HA 69 LEU QQD 3.92 #peak 465 reciprocal looks ok 37 ALA QB 69 LEU QB 4.63 #peak 281 #SUP 0.63 #QF 0.63 many overlapped peaks # 37 ALA QB 69 LEU HB3 4.48 #peak 661 #SUP 0.82 #QF 0.82 # 37 ALA HA 72 PRO HD2 5.50 #peak 467 #SUP 0.99 #QF 0.97 not seen/chemical shifts close 37 ALA H 75 LEU QQD 4.61 #peak 328 37 ALA HA 75 LEU QQD 3.88 #peak 466 # 38 HIS HA 39 PRO HG3 5.50 #peak 1358 #SUP 0.62 #QF 0.62 chemical shift off, no reciprocal on H38AH 38 HIS HA 39 PRO QD 3.56 #peak 1313 38 HIS QB 39 PRO QD 5.18 #peak 1687 # 38 HIS H 69 LEU QQD 5.39 #peak 740 #SUP 0.69 #QF 0.69 probably not # 38 HIS H 69 LEU QQD 5.39 #peak 739 #SUP 0.97 #QF 0.88 probably not # 38 HIS H 69 LEU QQD 4.38 #peak 740 38 HIS H 75 LEU QQD 5.44 #peak 741 39 PRO HA 40 SER H 3.99 #too tight #peak 316 #SUP 0.91 #QF 0.91 overlapped with S40HB 39 PRO QB 40 SER H 3.47 #peak 325 #SUP 0.93 #QF 0.93 # 39 PRO HB3 40 SER H 3.68 #peak 324 #SUP 1.00 # 39 PRO HG2 40 SER H 4.79 #peak 322 #SUP 0.93 #QF 0.93 not seen # 39 PRO HA 42 SER QB 5.50 #peak 1308 #SUP 0.92 #QF 0.90 chemical shifts off # 39 PRO HB2 42 SER H 5.01 #7/19 #peak 308 #SUP 0.87 #QF 0.87 chemical shifts off 39 PRO HA 43 CYS QB 4.48 #peak 1890 #SUP 0.95 #QF 0.95 # 39 PRO HA 43 CYS HB3 5.43 #peak 1891 #SUP 0.99 #QF 0.99 39 PRO QB 43 CYS H 4.05 #peak 455 #SUP 0.88 #QF 0.88 39 PRO QB 43 CYS QB 3.64 #peak 1738 #SUP 0.99 #QF 0.99 # 39 PRO HB2 43 CYS HB3 3.77 #peak 1740 #SUP 1.00 # 39 PRO HB3 43 CYS H 5.4 #2/2/2015+0.5 #7/12+0.5 #peak 454 #SUP 0.98 #QF 0.98 # 39 PRO HB3 43 CYS HB2 4.02 #peak 1739 #SUP 1.00 # 39 PRO HB3 43 CYS HB3 4.11 #peak 1741 #SUP 1.00 39 PRO QG 43 CYS QB 4.64 #peak 1345 #SUP 0.89 #QF 0.89 reciprocal O/L P39b # 39 PRO HG2 43 CYS HB3 5.30 #7/12+0.5 #peak 1346 #SUP 0.99 #QF 0.99 # 39 PRO HG3 43 CYS HB2 4.56 #peak 1344 #SUP 0.99 #QF 0.99 # 39 PRO HG3 43 CYS HB3 4.79 #peak 1343 #SUP 0.96 #QF 0.96 # 39 PRO HA 45 VAL QQG 4.52 #7/21+0.5 #peak 1887 no reciprocal on V45QQG, many possibilities for the peak on P39HA # 39 PRO HB2 45 VAL HA 4.62 #7/16 #peak 106 #SUP 0.85 #QF 0.85 not seen 39 PRO QB 45 VAL QQG 3.24 #peak 107 many possibilities for the peak, check all assignments on P39HA, HB # 39 PRO HB3 45 VAL QQG 3.72 #peak 1755 many possibilities for the peak 39 PRO QG 45 VAL HA 4.95 #peak 1353 #SUP 0.81 #QF 0.81 many possibilities, no reciprocal on V45HA 39 PRO QG 45 VAL QQG 3.25 #peak 1342 many possibilities for the peak 39 PRO QD 45 VAL QQG 4.05 #peak 108 chemical shifts for P39D off 39 PRO QB 50 VAL QQG 3.95 #peak 789 #SUP 1.00 #QF 0.99 many possibilities # 39 PRO HB3 50 VAL QG2 4.86 #peak 777 #SUP 0.95 #QF 0.95 many possibilities # 39 PRO HB3 50 VAL QG1 4.23 #peak 1762 #SUP 0.98 #QF 0.98 many possibilities 39 PRO QD 50 VAL QQG 4.37 #peak 1877 #SUP 0.85 #QF 0.85 no reciprocal # 39 PRO HD3 50 VAL QG2 4.87 #11/13+0. #peak 1880 #SUP 1.00 #QF 0.50 no reciprocal 39 PRO QG 50 VAL QG2 4.12 #1/23/15+0.5#peak 1342 #SUP 1.00 #QF 0.99 many possibilities # 39 PRO HG2 50 VAL QG1 3.88 #peak 790 #SUP 0.99 #QF 0.99 # 39 PRO HG3 50 VAL QG2 3.21 #peak 1338 #SUP 0.90 #QF 0.90 # 39 PRO HG3 50 VAL QG1 4.18 #peak 789 #SUP 1.00 #QF 0.99 39 PRO HA 50 VAL QQG 4.5 # reciprocals seen on V50QQGs # 39 PRO QD 50 VAL QG2 3.69 #peak 1877 no reciprocal on V50QGs # 39 PRO HG3 69 LEU QQD 4.20 #peak 1337 40 SER H 41 LYS+ H 4.46 #7/19+0.5 #peak 809 #SUP 0.98 #QF 0.98 # 40 SER H 41 LYS+ QB 5.50 #7/16 #peak 323 #SUP 0.95 #QF 0.89 # 40 SER HA 41 LYS+ HA 4.63 #peak 1438 #SUP 0.91 #QF 0.91 # 40 SER HA 41 LYS+ QE 4.88 #peak 1573 #SUP 0.66 #QF 0.66 # 40 SER HA 41 LYS+ QG 5.20 #peak 1461 #SUP 1.00 # 40 SER HB2 41 LYS+ H 3.93 #7/12+0.5 #peak 805 #SUP 0.83 #QF 0.83 # 40 SER HB2 41 LYS+ QG 4.57 #peak 1460 #SUP 0.97 #QF 0.97 # 40 SER HB3 41 LYS+ H 3.93 #7/12+0.5 #peak 807 #SUP 0.99 #QF 0.99 # 40 SER HB3 41 LYS+ QG 4.57 #peak 1462 #SUP 1.00 40 SER QB 41 LYS+ H 2.85 #7/12rd #peak 805 USE QB # 40 SER QB 41 LYS+ QB 4.41 #peak 1457 # 40 SER QB 41 LYS+ QG 3.92 #peak 1460 40 SER HA 42 SER H 4.94 #7/12+0.5 #peak 314 #SUP 0.96 #QF 0.96 # 40 SER QB 42 SER H 4.55 #peak 311 xpk probably to S42a # 40 SER H 43 CYS H 4.38 #7/16 #peak 319 #SUP 0.99 #QF 0.99 xpk there with reciprocal # 40 SER H 43 CYS HB2 4.13 #peak 327 #SUP 0.86 #QF 0.86 not seen # 40 SER H 43 CYS HB3 5.32 #7/19+0.5 #peak 326 #SUP 0.98 #QF 0.98 not seen # 40 SER HA 43 CYS H 4.84 #7/16 #peak 448 #SUP 0.92 #QF 0.92 not there # 40 SER H 45 VAL HB 5.50 #7/2 #peak 323 #SUP 0.95 #QF 0.89 40 SER H 45 VAL QQG 3.90 #peak 321 many possibilities for the methyl assignment # 40 SER HA 45 VAL HB 5.67 #1/25/2015del #7/19+0.5 #peak 461 #SUP 0.86 #QF 0.86 xpk chemical shift off # 40 SER HA 45 VAL QQG 3.91 #peak 808 QQG chemical shift definitely off # 40 SER QB 45 VAL QQG 3.92 #7/19 #peak 806 QQG chemical shift definitely off 41 LYS+ H 42 SER H 3.47 #peak 808 #SUP 0.99 #QF 0.99 # 41 LYS+ H 42 SER QB 4.93 #7/21+05 #peak 804 #SUP 0.95 #QF 0.95 41 LYS+ HA 42 SER H 3.40 #peak 312 #SUP 0.99 #QF 0.99 41 LYS+ QB 42 SER H 4.07 #peak 307 #SUP 1.00 # 41 LYS+ QB 42 SER HA 4.98 #peak 1457 #SUP 0.99 #QF 0.97 # 41 LYS+ QD 42 SER H 4.86 #peak 306 #SUP 1.00 41 LYS+ QG 42 SER H 4.31 #peak 305 #SUP 0.99 #QF 0.99 # 41 LYS+ QG 42 SER QB 5.49 #peak 1463 #SUP 0.93 #QF 0.93 41 LYS+ H 43 CYS H 4.71 #7/16 #peak 447 #SUP 0.98 #QF 0.98 41 LYS+ HA 43 CYS H 4.06 #peak 449 #SUP 0.89 #QF 0.89 42 SER H 43 CYS H 3.04 #peak 446 #SUP 0.99 #QF 0.99 # 42 SER H 43 CYS HB2 4.53 #peak 22 #SUP 0.79 #QF 0.79 42 SER QB 43 CYS H 3.55 #peak 451 #SUP 0.90 #QF 0.90 # 43 CYS H 44 GLN H 4.5 #07202015rm #07172015+0.5 #07162015+0.5 # seen on Q44 and C43 43 CYS HA 44 GLN H 3.19 #peak 467 #SUP 1.00 #QF 0.82 o/l own a 43 CYS QB 44 GLN H 3.96 #peak 470 #SUP 0.88 #QF 0.88 # 43 CYS HB3 44 GLN H 3.86 #peak 469 #SUP 0.97 #QF 0.97 43 CYS H 45 VAL QQG 4.03 #peak 53 V45 shifts off, V50 a better fit 43 CYS QB 45 VAL QQG 3.91 #peak 1745 # 43 CYS HB3 45 VAL QQG 4.10 #peak 26 # 43 CYS HB2 50 VAL QG1 4.67 #peak 1824 #SUP 0.99 #QF 0.99 one QQG much stronger 43 CYS QB 50 VAL QG2 5.11 #peak 775 #SUP 0.96 #QF 0.96 structure says QG1 stronger 43 CYS QB 50 VAL QG1 4.14 #peak 209 #SUP 0.99 #QF 0.99 need to assign and edit NOEs # 43 CYS HA 69 LEU HB2 4.61 #peak 1716 #SUP 0.55 #QF 0.55 no reciprocal on L69b # 43 CYS HB2 69 LEU QQD 4.54 #peak 1746 chemical shifts off on C43 no reciprocal on 69 # 43 CYS HB3 69 LEU QQD 4.52 #peak 1742 44 GLN H 45 VAL H 4.41 #peak 601 #SUP 0.99 #QF 0.99 # 44 GLN H 45 VAL QQG 4.61 #peak 472 probably to V50 44 GLN HA 45 VAL H 2.87 #peak 603 #SUP 0.80 #QF 0.80 too tight ? o/l with v45a # 44 GLN HA 45 VAL QQG 4.30 #peak 27 maybe to 50 but no reciprocal on either 44 GLN QB 45 VAL H 4.30 #07162015+0.5 #7/12 #peak 606 #SUP 0.87 #QF 0.87 peak is there ? too tight # 44 GLN QB 45 VAL QQG 5.04 #peak 1715 44 GLN H 50 VAL QG1 5.21 #peak 471 #SUP 0.71 #QF 0.71 seems to be there # 44 GLN QB 50 VAL QG1 4.82 #peak 788 #SUP 0.99 #QF 0.99 extremely weak on 44b # 44 GLN QB 67 LYS+ QD 5.34 #peak 165 seems unlikely, chemical shifts off 45 VAL HA 46 GLU- H 3.13 #peak 478 #SUP 0.83 #QF 0.83 # 45 VAL HA 46 GLU- HB2 4.61 #peak 797 #SUP 0.98 #QF 0.60o/l 45b 45 VAL HA 50 VAL HA 3.5 # reciprocals present # 45 VAL HA 50 VAL HB 4.94 #peak 797 #SUP 0.98 #QF 0.60 not seen, o/l 45b 45 VAL HA 50 VAL QG2 4.64 #peak 294 #SUP 0.86 #QF 0.86 reciprocals 45 VAL QQG 50 VAL HA 4.5 # 45 VAL QQG 50 VAL HB 4.06 #peak 800 too overlapped # 45 VAL QQG 50 VAL QG1 3.30 #peak 794 too overlapped 46 GLU- HA 47 ASN H 3.24 #peak 130 #SUP 0.89 #QF 0.89 # 46 GLU- HA 47 ASN HB2 4.93 #peak 1610 #SUP 0.84 #QF 0.84 46 GLU- QB 47 ASN H 4.29 #7/16+0.5 #peak 125 #SUP 0.88 #QF 0.88 # 46 GLU- HB3 47 ASN HB2 4.57 #peak 1779 #SUP 0.99 #QF 0.99 # 46 GLU- HB3 47 ASN HB3 4.77 #7/2 #peak 1782 #SUP 0.97 #QF 0.97 46 GLU- QG 47 ASN H 4.18 #peak 126 #SUP 0.92 #QF 0.92 # 46 GLU- QG 47 ASN HB2 4.32 #peak 1780 #SUP 0.98 #QF 0.98 # 46 GLU- QG 47 ASN HB3 4.74 #7/2 #peak 1781 #SUP 0.95 #QF 0.95 46 GLU- H 49 ARG+ H 4.17 #peak 893 #SUP 0.97 #QF 0.97 46 GLU- HA 49 ARG+ H 5.09 #peak 672 #SUP 0.96 #QF 0.96 # 46 GLU- HB3 49 ARG+ H 4.55 #7/12+0.5 #peak 684 #SUP 0.90 #QF 0.90 overlapped # 46 GLU- HB3 49 ARG+ HD3 4.70 #peak 1456 #SUP 0.99 #QF 0.98 too overlapped 46 GLU- QG 49 ARG+ H 5.50 #peak 679 #SUP 0.99 #QF 0.83 extremely weak 46 GLU- H 49 ARG+ HA 5.0 # weak 46 GLU- H 50 VAL HA 4.46 #peak 480 #SUP 0.96 #QF 0.96 # 46 GLU- H 50 VAL HB 4.60 #08032015rm #peak 475 #SUP 0.77 #QF 0.77 o/l 46B # 46 GLU- HB2 50 VAL HA 3.70 #7/12 #peak 1479 #SUP 1.00 #QF 0.50 not seen # 46 GLU- QG 50 VAL HA 5.50 #7/2 #peak 1480 #SUP 0.93 #QF 0.93 47 ASN H 48 GLY H 3.87 #peak 3 #SUP 0.97 #QF 0.97 47 ASN QB 48 GLY H 4.37 #peak 179 #SUP 0.93 #QF 0.93 use QB # 47 ASN HB2 48 GLY HA3 5.20 #7/2 #peak 1609 #SUP 0.90 #QF 0.90 # 47 ASN HB3 48 GLY H 4.11 #7/2 #peak 178 #SUP 1.00 #QF 0.97 # 47 ASN H 49 ARG+ H 4.54 #peak 84 #SUP 0.86 #QF 0.86 not seeing it # 47 ASN H 49 ARG+ HD3 4.65 #7/2 #peak 128 #SUP 0.97 #QF 0.94 # 47 ASN HB2 49 ARG+ H 4.68 #07172015rm #peak 678 #SUP 0.89 #QF 0.89 very weak # 47 ASN HB2 49 ARG+ HD2 3.98 #peak 1692 #SUP 0.62 #QF 0.62 too overlapped # 47 ASN HB2 49 ARG+ HG3 5.50 #7/12 #peak 1778 #SUP 0.95 #QF 0.93 # 47 ASN HB3 49 ARG+ HG3 4.83 #7/12 #peak 1777 #SUP 0.83 #QF 0.83 48 GLY H 49 ARG+ H 3.23 #peak 668 #SUP 0.95 #QF 0.95 # 48 GLY H 49 ARG+ HG3 4.39 #7/2 #peak 180 #SUP 0.99 #QF 0.99 # 48 GLY HA2 49 ARG+ HG3 4.47 #7/2 #peak 1804 #SUP 0.79 #QF 0.79 48 GLY HA3 49 ARG+ H 4.58 #too tight #peak 674 #SUP 0.99 #QF 0.99 # 48 GLY HA3 49 ARG+ HA 4.63 #peak 1905 #SUP 0.94 #QF 0.94 # 48 GLY HA3 49 ARG+ HG3 4.03 #peak 1707 #SUP 0.99 #QF 0.99 49 ARG+ H 50 VAL H 4.62 #peak 590 #SUP 0.99 #QF 0.99 # 49 ARG+ H 50 VAL HA 5.29 #7/12 #peak 671 #SUP 0.97 #QF 0.97 49 ARG+ HA 50 VAL H 3.45 #peak 591 #SUP 0.97 #QF 0.97 # 49 ARG+ HA 50 VAL QG2 5.29 #peak 769 #SUP 0.96 #QF 0.87 # 49 ARG+ HD3 50 VAL H 4.93 #7/16 #peak 595 #SUP 0.99 #QF 0.99 49 ARG+ QB 50 VAL H 3.38 #peak 600 50 VAL H 51 ILE H 5.25 #peak 589 #SUP 0.99 #QF 0.44 # 50 VAL H 51 ILE HA 5.50 #peak 593 #SUP 0.98 #QF 0.95 # 50 VAL HA 51 ILE QD1 5.26 #peak 1797 #SUP 0.96 #QF 0.96 # 50 VAL HA 51 ILE QG1 4.66 #peak 1478 # 50 VAL QG2 51 ILE H 4.32 #peak 629 #SUP 1.00 #QF 0.87too overlapped # 50 VAL QG1 51 ILE QG1 4.28 #peak 792 # 50 VAL QG2 52 ALA H 5.50 #peak 301 #SUP 0.97 #QF 0.70 overlapped with 51sc # 50 VAL QG2 68 TYR HA 5.50 #7/12 #peak 769 #SUP 0.96 #QF 0.87 50 VAL QG1 68 TYR HA 4.67 #peak 785 #SUP 0.94 #QF 0.94 only seen on 50g 50 VAL QG2 69 LEU H 4.72 #07162015+0.5 #peak 548 #SUP 0.99 #QF 0.56 o/l L69d # 50 VAL QG2 69 LEU HB3 4.13 #peak 104 #SUP 0.97 #QF 0.87 too overlapped # 50 VAL QG1 69 LEU H 3.88 #7/2 #peak 547 #SUP 0.62 #QF 0.62 o/l L69d # 50 VAL QG1 69 LEU HB2 4.55 #peak 660 #SUP 0.78 #QF 0.78 # 50 VAL QG1 69 LEU HB3 3.56 #peak 793 #SUP 0.79 #QF 0.79 51 ILE QG1 52 ALA H 5.34 #peak 301 51 ILE QG2 52 ALA H 4.06 #peak 303 #SUP 0.96 #QF 0.96 # 51 ILE QG2 52 ALA QB 4.54 #peak 871 #SUP 0.98 #QF 0.96 reciprocal says 15 QG2 # 51 ILE QG2 53 CYSZ HA 5.36 #peak 864 #SUP 1.00 #QF 0.97 51 ILE H 68 TYR HD1 4.65 ##07162015 QD to HD1 #peak 625 #SUP 0.94 #QF 0.94 51 ILE HB 68 TYR HA 4.76 #peak 1305 #SUP 0.94 #QF 0.94 51 ILE HB 68 TYR QD 4.01 #peak 1592 #SUP 1.00 51 ILE HB 68 TYR QE 3.81 #peak 1532 #SUP 1.00 # 51 ILE QD1 68 TYR H 5.19 #7/5 #peak 790 #SUP 0.89 #QF 0.89 51 ILE QD1 68 TYR QD 4.15 #peak 1683 #SUP 1.00 51 ILE QD1 68 TYR QE 3.58 #peak 1684 #SUP 1.00 51 ILE QG1 68 TYR QD 5.3 #weak #peak 1540 51 ILE QG1 68 TYR QE 4.4 #stronger (slightly) #peak 1535 51 ILE QG2 68 TYR HA 4.91 #peak 868 #SUP 0.99 #QF 0.99 # 51 ILE QG2 68 TYR QB 4.61 #peak 866 51 ILE QG2 68 TYR QD 4.09 #peak 297 #SUP 1.00 51 ILE QG2 68 TYR QE 3.97 #peak 1533 #SUP 1.00 52 ALA QB 53 CYSZ H 3.79 #peak 444 #SUP 1.00 # 52 ALA H 57 LEU QQD 4.27 #peak 302 more likely I51 52 ALA HA 57 LEU QQD 4.52 #peak 250 no reciprocal on 57 QDs 52 ALA QB 57 LEU HG 4.40 #peak 1821 #SUP 0.98 #QF 0.98 # 52 ALA QB 57 LEU QQD 4.12 #peak 1815 #SUP 0.88 #QF 0.88 # 52 ALA QB 57 LEU QQD 4.12 #peak 1726 #SUP 1.00 # 52 ALA QB 57 LEU QQD 2.81weaken #peak 1815 52 ALA HA 69 LEU H 4.01 #peak 543 #SUP 0.80 #QF 0.80 52 ALA HA 69 LEU HA 5.31 #peak 675 #SUP 0.88 #QF 0.63 52 ALA HA 69 LEU QB 5.05 #peak 653 #SUP 0.95 #QF 0.95 52 ALA HA 69 LEU QQD 4.21 #peak 1733 52 ALA QB 70 HIS HA 4.69 #peak 1102 #SUP 0.98 #QF 0.98 52 ALA QB 71 PRO QD 4.32 #peak 1124 #SUP 0.96 #QF 0.96 # 52 ALA QB 71 PRO HD3 4.20 #peak 1820 #SUP 0.97 #QF 0.97 # 52 ALA QB 71 PRO HG2 3.97 #peak 1816 #SUP 0.95 #QF 0.95 # 52 ALA QB 71 PRO HG3 3.97 #peak 1817 #SUP 0.99 #QF 0.99 52 ALA QB 71 PRO QG 3.17 #peak 1816 52 ALA QB 79 LEU HB2 4.66 #peak 1822 #SUP 0.98 #QF 0.98no reciprocals on 79b, maybe 79g? 52 ALA QB 79 LEU HG 5.50 #peak 1701 #SUP 0.62 #QF 0.62 53 CYSZ HA 55 ASP- H 4.61 #peak 363 #SUP 0.82 #QF 0.82 53 CYSZ QB 55 ASP- H 4.72 #peak 360 # 53 CYSZ HB3 56 SER H 4.26 #peak 287 #SUP 0.98 #QF 0.68 overlaps with 55 and 56bs # 53 CYSZ QB 56 SER H 3.47 #peak 287 53 CYSZ H 57 LEU QQD 4.69 #peak 48 peak at 0.611 could be to 51 53 CYSZ HA 57 LEU H 5.50 #peak 530 #SUP 0.97 #QF 0.70 # 53 CYSZ QB 57 LEU H 4.88 #peak 533 overlapped with S56b # 53 CYSZ QB 57 LEU QQD 5.28 #peak 1724 not seeing it # 53 CYSZ QB 61 CYS- HB2 5.34 #peak 523 chemical shifts off 53 CYSZ H 68 TYR HA 5.26 #peak 46 #SUP 0.98 #QF 0.98 53 CYSZ H 68 TYR QB 4.46 #peak 442 #SUP 0.98 #QF 0.98 # 53 CYSZ H 68 TYR HB3 4.46 #peak 441 #SUP 0.97 #QF 0.92 53 CYSZ H 68 TYR QD 5.00 #07162015+0.5 #peak 436 #SUP 0.99 #QF 0.99 53 CYSZ HA 68 TYR HA 5.50 #07162015+0.5 # reciprocals present # 53 CYSZ HA 68 TYR HB2 4.54 #peak 1896 #SUP 1.00 # 53 CYSZ HA 68 TYR HB3 4.54 #peak 1298 #SUP 0.97 #QF 0.97 53 CYSZ HA 68 TYR QB 3.78 #peak 1896 USE QB 53 CYSZ HA 68 TYR QD 3.88 #peak 263 #SUP 1.00 53 CYSZ HA 68 TYR QE 5.24 #weak #peak 1525 #SUP 0.99 #QF 0.99 53 CYSZ QB 68 TYR QB 4.15 #peak 1631 53 CYSZ QB 68 TYR QD 5.18 #weak #peak 1522 no reciprocal on Y68b 53 CYSZ H 69 LEU H 4.78 #peak 538 #SUP 0.85 #QF 0.85 53 CYSZ H 70 HIS HA 4.57 #peak 438 #SUP 0.84 #QF 0.84 53 CYSZ H 70 HIS HD2 4.13 #peak 437 #SUP 0.94 #QF 0.94 53 CYSZ HA 70 HIS HD2 4.95 #7/12+0.5 #peak 264 #SUP 1.00 # 53 CYSZ HB2 70 HIS HD2 3.97 #peak 1922 #SUP 0.98 #QF 0.98 # 53 CYSZ HB3 70 HIS HD2 3.97 #peak 1923 #SUP 0.99 #QF 0.97 # 53 CYSZ QB 70 HIS HD2 3.45 #peak 1923 USE QB # 53 CYSZ QB 70 HIS HE1 5.25 #peak 1499 chemical shift of resolved xpk is off 53 CYSZ H 71 PRO QG 5.26 #peak 443 could be something else 54 PHE H 55 ASP- H 4.27 #peak 870 #SUP 0.98 #QF 0.98 # 54 PHE HB2 55 ASP- H 4.06 #peak 358 #SUP 0.99 #QF 0.84 # 54 PHE HB3 55 ASP- H 4.06 #peak 359 #SUP 0.97 #QF 0.97 # 54 PHE HZ 55 ASP- HA 5.11 #7/5 #peak 1583 #SUP 0.85 #QF 0.85 reciprocal on QZ v weak, o/l QE, xpk on HZ is off chemical shift of D55HA 54 PHE QB 55 ASP- H 3.49 #peak 358 use QB 54 PHE QD 55 ASP- H 3.76 #peak 366 #SUP 0.95 #QF 0.95 54 PHE QD 55 ASP- HA 4.51 #peak 1702 #SUP 0.97 #QF 0.97 seen on 55HA, no reciprocal? # 54 PHE QE 55 ASP- H 4.62 #7/2 #peak 367 #SUP 0.81 #QF 0.81 not seen # 54 PHE QE 55 ASP- HA 4.74 #peak 1516 #SUP 0.72 #QF 0.72 chemical shift of D55HA off # 54 PHE HA 56 SER H 4.60 #peak 285 #SUP 0.95 #QF 0.95 not seen 54 PHE QD 56 SER H 5.50 #peak 282 #SUP 0.98 #QF 0.84 54 PHE HA 57 LEU H 3.94 #peak 532 #SUP 0.97 #QF 0.97 54 PHE HA 57 LEU QB 4.35 #peak 355 #SUP 0.98 #QF 0.98 # 54 PHE HA 57 LEU HB3 4.61 #peak 356 #SUP 0.95 #QF 0.95 54 PHE HA 57 LEU HG 4.29 #peak 354 #SUP 1.00 54 PHE HA 57 LEU QQD 3.45 #peak 1721 # 54 PHE QB 57 LEU HB2 5.34 #peak 1778 not seen # 54 PHE QB 57 LEU QQD 3.92 #peak 1723 not seen/very weak 54 PHE QD 57 LEU H 5.50 #peak 527 #SUP 0.94 #QF 0.90 54 PHE QD 57 LEU QQD 4.26 #peak 291 # 54 PHE HA 58 LYS+ H 5.08 #peak 768 #SUP 0.98 #QF 0.98 not seen # 54 PHE HA 58 LYS+ QE 5.01 #peak 1271 o/l F54b # 54 PHE HZ 58 LYS+ HB2 5.50 #7/16 #peak 1588 #SUP 0.57 #QF 0.57 54 PHE HZ 58 LYS+ QE 4.08 #peak 1576 seen on K58QE not on 54 ring 54 PHE QD 58 LYS+ QE 4.90 #peak 1589 # 54 PHE QE 58 LYS+ HE2 4.61 #peak 1574 #SUP 0.89 #QF 0.89 # 54 PHE QE 58 LYS+ HE3 4.61 #peak 1577 #SUP 1.00 54 PHE QE 58 LYS+ QE 4.01 #peak 1577 USE QE 54 PHE QE 58 LYS+ QG 5.11 #peak 1911 #SUP 1.00 no reciprocal on F54ring 54 PHE H 68 TYR QB 5.12 #peak 778 54 PHE H 68 TYR QD 4.57 #peak 872 #SUP 0.95 #QF 0.95 # 54 PHE HA 79 LEU HG 5.04 #07172015rm #07152015+0.2 #peak 354 #SUP 1.00 check alternatives # 54 PHE HA 79 LEU QQD 4.18 #07312015rm by Jane #peak 285 check alternatives # 54 PHE QE 79 LEU QQD 5.01 #peak 1910 chemical shifts off 55 ASP- H 56 SER H 4.09 #peak 280 #SUP 0.99 #QF 0.99 # 55 ASP- HB2 56 SER H 4.22 #peak 289 #SUP 0.97 #QF 0.97 55 ASP- QB 56 SER H 4.22 #peak 291 #SUP 0.95 #QF 0.95 55 ASP- H 57 LEU H 5.30 #very weak #peak 368 #SUP 0.95 #QF 0.95 55 ASP- HA 57 LEU H 4.94 #peak 528 #SUP 0.97 #QF 0.97 close to S56a 55 ASP- QB 57 LEU H 5.34 #peak 537 55 ASP- H 58 LYS+ HB2 5.50 #peak 370 #SUP 0.93 #QF 0.93 55 ASP- HA 58 LYS+ H 4.29 #peak 769 #SUP 0.90 #QF 0.90 55 ASP- HA 58 LYS+ QB 3.93 #peak 1897 #SUP 0.86 #QF 0.86 # 55 ASP- HA 58 LYS+ QE 4.95 #7/16 #peak 1452 o/l own b # 55 ASP- QB 58 LYS+ HB2 5.11 #peak 1788 chemical shifts off? # 55 ASP- QB 60 ARG+ H 5.26 #peak 91 too many possibilities for this # 55 ASP- H 61 CYS- HA 5.12 #peak 364 #SUP 0.95 #QF 0.95 probably 53a 55 ASP- QB 61 CYS- HA 4.09 #peak 1783 #SUP 0.93 #QF 0.93 # 55 ASP- HB3 61 CYS- HA 4.09 #peak 396 #SUP 0.99 #QF 0.99 55 ASP- QB 61 CYS- H 4.53 #peak 42 chemical shift a bit off # 55 ASP- QB 61 CYS- HA 3.53 #peak 396 55 ASP- QB 61 CYS- QB 5.28 #peak 1787 # 55 ASP- QB 61 CYS- HB3 5.34 #peak 91 55 ASP- HA 62 SER H 4.91 #peak 273 #SUP 0.44 #QF 0.44 weak xpk on 62N # 55 ASP- QB 62 SER H 4.59 #peak 276 not seeing this 56 SER H 57 LEU H 3.85 #peak 281 #SUP 0.97 #QF 0.97 # 56 SER H 57 LEU HB2 4.75 #peak 292 #SUP 0.91 #QF 0.91 # 56 SER H 57 LEU QQD 4.98 #peak 294 56 SER H 58 LYS+ H 4.80 #peak 296 #SUP 0.70 #QF 0.70 # 56 SER H 58 LYS+ HB2 5.30 #peak 293 #SUP 0.94 #QF 0.94 not seen # 56 SER HA 58 LYS+ H 4.62 #peak 770 #SUP 0.87 #QF 0.87 chemical shift off 56 SER HA 59 GLY H 4.15 #peak 197 #SUP 0.79 #QF 0.79 close to G59HA 56 SER HA 60 ARG+ H 4.37 #too strong? #peak 687 #SUP 0.89 #QF 0.89 close to G59HA - weaken # 56 SER H 61 CYS- HA 4.73 #peak 295 #SUP 0.99 #QF 0.99 not seen 56 SER H 61 CYS- QB 4.59 #peak 290 #SUP 0.98 #QF 0.98 56 SER HA 61 CYS- H 3.62 #peak 429 #SUP 0.79 #QF 0.79 56 SER HA 61 CYS- HA 3.92 #too strong? #peak 391 #SUP 1.00 56 SER HA 61 CYS- QB 4.37 #peak 449 #SUP 0.95 #QF 0.95 # 56 SER HA 61 CYS- HB3 4.63 #peak 448 #SUP 0.99 #QF 0.99 56 SER QB 61 CYS- QB 4.59 #peak 524 56 SER H 70 HIS HD2 5.50 #peak 282 #SUP 0.98 #QF 0.84 # 56 SER HB2 70 HIS HD2 4.99 #peak 249 #SUP 0.95 #QF 0.95 56 SER QB 70 HIS HD2 4.99 #peak 1585 #SUP 0.90 #QF 0.88 56 SER QB 70 HIS HA 4.38 #peak 1100 # 56 SER QB 70 HIS HD2 4.24 #peak 1585 56 SER QB 70 HIS HE1 5.08 #peak 1498 no reciprocal on QB # 56 SER QB 71 PRO HD2 4.38 #peak 1117 not seen # 56 SER QB 71 PRO HD3 5.34 #peak 1118 not seen 57 LEU H 58 LYS+ H 3.71 #peak 526 #SUP 0.98 #QF 0.98 # 57 LEU H 58 LYS+ HA 5.50 #peak 530 #SUP 0.97 #QF 0.70 # 57 LEU H 58 LYS+ QE 5.34 #peak 537 = S56QB 57 LEU HB2 58 LYS+ H 3.81 #peak 762 #SUP 0.94 #QF 0.94 # 57 LEU HB2 58 LYS+ QE 5.19 #peak 1568 # 57 LEU HB2 58 LYS+ QG 5.43 #peak 1399 #SUP 0.92 #QF 0.92 57 LEU QQD 58 LYS+ H 4.84 #peak 761 # 57 LEU QQD 58 LYS+ QE 4.54 #peak 1567 # 57 LEU QQD 68 TYR QD 5.33 #7/2 #peak 292 many other possibilities # 57 LEU H 70 HIS HD2 5.50 #07152015rm #peak 527 #SUP 0.94 #QF 0.90 # 57 LEU HG 71 PRO HD2 4.87 #7/12 #peak 1730 #SUP 0.98 #QF 0.94 57 LEU QQD 71 PRO HD2 3.87 #peak 1125 reciprocal weak on 57d # 57 LEU QQD 71 PRO QG 2.79 #peak 759 chemical shifts off? # 57 LEU QQD 75 LEU H 5.44 #07152015rm #peak 562 could be to 79? 57 LEU QQD 75 LEU QB 5.23 #peak 683 # 57 LEU QQD 75 LEU HB3 5.44 #peak 684 # 57 LEU HA 76 LYS+ HE2 4.13 #peak 1259 #SUP 0.94 #QF 0.94 # 57 LEU HA 76 LYS+ HE3 4.13 #peak 1260 #SUP 0.88 #QF 0.88 57 LEU HA 76 LYS+ QE 3.63 #peak 1260 looks like it # 57 LEU HA 76 LYS+ QG 4.01 #peak 746 overlapped own b 57 LEU QQD 76 LYS+ H 4.84 #07202015+0.5 #07152015+0.5 #peak 492 or 79? 57 LEU QQD 76 LYS+ HA 3.36 #peak 1235 57 LEU QQD 76 LYS+ QB 4.73 #peak 1247 reciprocal o/l own b # 57 LEU QQD 76 LYS+ HB3 4.22 #peak 1246 57 LEU QQD 76 LYS+ QE 4.12 #peak 1267 57 LEU QQD 76 LYS+ QG 3.31 #peak 1851 # 57 LEU QQD 78 GLN H 5.44 #peak 65 very weak peak could be to 79 # 57 LEU QQD 78 GLN QB 4.74 #7/12 #peak 124 chemical shifts off # 57 LEU HB2 79 LEU HB2 5.21 #7/23 #peak 708 #SUP 0.99 #QF 0.99 overlapped 57 LEU QB 79 LEU HG 4.49 #peak 749 #SUP 1.00 #QF 0.98 overlapped 57 LEU QB 79 LEU QQD 4.09 #peak 1731 too overlapped # 57 LEU HB3 79 LEU HG 4.71 #peak 754 #SUP 0.96 #QF 0.89 # 57 LEU HB3 79 LEU QQD 3.00 #peak 728 57 LEU QQD 79 LEU QB 4.23 #peak 711 #SUP 1.00 #QF 0.90 overlaps # 57 LEU QQD 79 LEU HB2 4.23 #peak 1725 #SUP 0.99 #QF 0.99 # 57 LEU QQD 79 LEU H 3.91 #peak 576 overlap with L79d # 57 LEU QQD 79 LEU HB2 3.47 #peak 711 57 LEU QQD 79 LEU HG 3.81 #peak 763 57 LEU QQD 80 GLU- H 5.44 #peak 512 chemical shift looks off 57 LEU QQD 80 GLU- QG 5.44 #peak 1849 not seeing these # 57 LEU QQD 80 GLU- HG3 5.44 #peak 1484 58 LYS+ H 59 GLY H 3.47 #peak 192 #SUP 0.94 #QF 0.94 58 LYS+ QB 59 GLY H 4.09 #7/16+0.5 #peak 202 #SUP 0.92 #QF 0.92 1.3ppm stronger # 58 LYS+ HB3 59 GLY H 4.58 #7/12+0.5 #peak 201 #SUP 0.98 #QF 0.98 # 58 LYS+ QE 59 GLY H 5.26 #peak 200 chemical shift off 58 LYS+ H 60 ARG+ H 4.74 #quite strong #peak 87 #SUP 0.98 #QF 0.98 # 58 LYS+ HB3 60 ARG+ H 5.31 #peak 692 #SUP 0.92 #QF 0.92 o/L R60sc # 58 LYS+ HA 79 LEU QQD 4.25 #7/2 #peak 61 = K58QG # 58 LYS+ QE 79 LEU QQD 3.43 #07312015rm by Jane #peak 1566 chemical shift a bit off # 58 LYS+ QG 79 LEU QQD 3.92 #peak 23 overlapped K58QG=L79QQD 59 GLY H 60 ARG+ H 3.39 #peak 194 #SUP 0.99 #QF 0.99 # 59 GLY H 60 ARG+ HA 4.84 #7/12 #peak 195 #SUP 0.98 #QF 0.98 # 59 GLY H 60 ARG+ QD 4.43 #7/2 #peak 199 #SUP 0.50 #QF 0.50 59 GLY QA 60 ARG+ H 3.55 #peak 688 #SUP 1.00 #QF 0.81 # 59 GLY QA 60 ARG+ QB 5.34 #peak 303 # 59 GLY H 61 CYS- H 5.17 #07152015rm #7/5 #peak 45 #SUP 0.97 #QF 0.95 seems to be there at 900MHz, not at 800 MHz 59 GLY QA 61 CYS- H 4.83 #7/2 #peak 430 #SUP 0.80 #QF 0.80 seems to be there # 60 ARG+ H 61 CYS- HA 4.33 #peak 690 #SUP 0.83 #QF 0.83 # 60 ARG+ H 61 CYS- HB2 5.50 #peak 694 #SUP 0.99 #QF 0.99 # 60 ARG+ H 61 CYS- HB3 5.37 #7/2 #peak 90 #SUP 0.93 #QF 0.93 # 60 ARG+ HG2 61 CYS- H 3.79 #7/2 #peak 425 #SUP 0.97 #QF 0.87 # 60 ARG+ HG3 61 CYS- H 3.79 #peak 426 #SUP 0.92 #QF 0.92 60 ARG+ QB 61 CYS- H 4.0 # 07162015+0.5 #7/5 loosen #peak 424 60 ARG+ QD 61 CYS- H 3.96 #7/2 loosen #peak 427 #SUP 0.68 #QF 0.68 60 ARG+ QG 61 CYS- H 3.75 # loosen #peak 425 # 60 ARG+ H 62 SER H 5.0 #07162015rm # This is there at 900MHZ. S62 amide very weak at 800MHz 61 CYS- H 62 SER H 4.66 #07162015+0.5 #7/5 #peak 434 #SUP 0.86 #QF 0.86 this is there # 61 CYS- H 62 SER QB 4.34 #7/2 #peak 431 61 CYS- HA 62 SER H 3.07 #peak 270 #SUP 0.81 #QF 0.81 61 CYS- QB 62 SER H 4.29 #peak 275 #SUP 0.85 #QF 0.85 # 61 CYS- HB3 62 SER H 4.46 #peak 274 #SUP 0.96 #QF 0.96 61 CYS- HA 70 HIS HE1 5.49 #peak 1496 #SUP 0.99 #QF 0.99 61 CYS- QB 70 HIS HE1 4.03 #peak 1500 #SUP 0.99 #QF 0.99 # 61 CYS- HB3 70 HIS HE1 3.65 #peak 1501 #SUP 0.94 #QF 0.94 62 SER H 63 ARG+ H 3.87 #peak 705 #SUP 0.98 #QF 0.98 # 62 SER H 63 ARG+ HB2 4.40 #7/23 #peak 277 #SUP 0.78 #QF 0.78 # 62 SER H 63 ARG+ HB3 5.50 #7/23 #peak 279 #SUP 0.99 #QF 0.98 # 62 SER H 63 ARG+ QG 5.34 #peak 279 # 62 SER HB2 63 ARG+ H 4.98 #peak 701 #SUP 0.95 #QF 0.95 weak # 62 SER HB3 63 ARG+ H 4.98 #peak 702 #SUP 0.96 #QF 0.96 weak 62 SER QB 63 ARG+ H 4.63 #weaken #peak 701 63 ARG+ H 64 GLU- H 4.96 #7/16+0.5 weaker than 62-63 #peak 142 #SUP 1.00 63 ARG+ HA 64 GLU- H 3.72 #2/2/2015+0/5 o/l own a weaken #peak 139 #SUP 0.97 #QF 0.86 63 ARG+ QB 64 GLU- H 4.19 #peak 132 #SUP 0.99 #QF 0.99 # 63 ARG+ HB3 64 GLU- H 4.36 #peak 134 #SUP 1.00 #QF 0.99 #2/2/2105 in 63 ARG+ QB 65 ASN H 4.7 #too strong not seen at 800MHz # 63 ARG+ HB3 65 ASN H 4.2 too strong # 63 ARG+ QG 64 GLU- H 4.82 #2/2/2015rm #peak 134 o/l R63b and g # 63 ARG+ HA 66 CYS- H 5.23 #7/12 #peak 44 #SUP 0.62 #QF 0.62 amides overlapped 63 ARG+ HA 66 CYS- QB 4.86 #peak 1012 #SUP 0.86 #QF 0.86 63 ARG+ QB 66 CYS- QB 4.23 #2/2/2015rm #peak 1016 #SUP 0.95 #QF 0.95 # 63 ARG+ HB3 66 CYS- QB 4.34 #2/2/2015rm #peak 520 #SUP 0.97 #QF 0.88 64 GLU- H 65 ASN H 4.78 #stronger? #peak 372 #SUP 1.00 64 GLU- HA 65 ASN H 3.71 #2/2/2105rein+0.5 #7/2 #peak 375 #SUP 0.95 #QF 0.95 64 GLU- QB 65 ASN H 3.80 #2/13/2015+0.7 #peak 378 #SUP 0.94 #QF 0.94 # 64 GLU- QB 65 ASN QB 4.42 #peak 1640 #SUP 0.99 #QF 0.99 # 64 GLU- QB 65 ASN QD2 4.69 #peak 890 64 GLU- QG 65 ASN H 4.20 #peak 377 #SUP 0.98 #QF 0.98 # 64 GLU- H 66 CYS- QB 4.65 #2/2/2105rm #peak 137 #SUP 0.89 #QF 0.89 # 64 GLU- QB 66 CYS- H 4.06 #7/2 #peak 423 #SUP 0.84 #QF 0.84 65 ASN H 66 CYS- H 4.0 #2/2 3.63 #peak 432 #SUP 0.99 #QF 0.99 #2/2/2015 in # 65 ASN H 66 CYS- QB 4.6 65 ASN HA 66 CYS- H 3.10 #peak 428 #SUP 0.84 #QF 0.84 65 ASN QB 66 CYS- H 4.20 #peak 421 #SUP 0.66 #QF 0.66 # 65 ASN QD2 66 CYS- H 5.34 #peak 45 overlap of HN with C61 = C61N-G59N 66 CYS- H 67 LYS+ H 4.66 #peak 751 #SUP 0.99 #QF 0.99 66 CYS- HA 67 LYS+ H 3.27 #peak 753 #SUP 0.83 #QF 0.83 # 66 CYS- HA 67 LYS+ QE 3.82 #peak 1693 66 CYS- QB 67 LYS+ H 3.96 #peak 754 #SUP 0.99 #QF 0.99 # 66 CYS- QB 67 LYS+ QE 4.04 #peak 1675 67 LYS+ H 68 TYR H 4.53 #peak 752 #SUP 1.00 # 67 LYS+ HE2 68 TYR QE 4.25 #peak 339 #SUP 1.00 # 67 LYS+ HE3 68 TYR QE 4.25 #peak 338 #SUP 1.00 67 LYS+ QG 68 TYR H 4.56 #peak 791 #SUP 0.81 #QF 0.81 to 0.759, not 0.387 # 67 LYS+ HG2 68 TYR QE 4.81 #peak 1536 #SUP 0.95 #QF 0.95 not seeing that # 67 LYS+ HG3 68 TYR H 4.56 #peak 789 #SUP 0.84 #QF 0.84 # 67 LYS+ HG3 68 TYR QE 4.81 #peak 1534 #SUP 0.97 #QF 0.97 67 LYS+ QB 68 TYR H 4.33 #07162015+0.5 #peak 787 #SUP 0.98 #QF 0.98 # 67 LYS+ QD 68 TYR H 5.34 #peak 788 hard to separate from betas # 67 LYS+ QD 68 TYR QE 4.82 #peak 1531 no reciprocal on K67d check other possibilities 67 LYS+ QE 68 TYR QE 3.71 #peak 338 reciprocals present # 67 LYS+ QG 68 TYR H 3.81 #peak 789 # 67 LYS+ QG 68 TYR QD 4.87 #peak 1539 v weak on HG1 only, no reciprocal 68 TYR H 69 LEU H 4.95 #07162015+0.5 #7/2 #peak 779 #SUP 0.98 #QF 0.98 present weak 68 TYR HA 69 LEU H 4.0 # stronger than NN # 68 TYR HB2 69 LEU H 4.31 #peak 546 #SUP 0.91 #QF 0.91 # 68 TYR HB3 69 LEU H 4.31 #peak 545 #SUP 0.89 #QF 0.89 68 TYR QB 69 LEU H 3.74 #peak 545 peak at 2.98 much stronger than 2.37 68 TYR QD 69 LEU H 4.43 #peak 541 #SUP 0.99 #QF 0.99 # 68 TYR QB 70 HIS HD2 4.55 #peak 1587 no reciprocal 69 LEU H 70 HIS H 5.22 #weak #peak 540 #SUP 0.96 #QF 0.96 chemical shifts close 69 LEU HA 70 HIS H 3.44 #peak 744 #SUP 0.94 #QF 0.94 69 LEU QB 70 HIS H 4.69 #peak 747 #SUP 0.95 #QF 0.95 # 69 LEU HB3 70 HIS H 4.59 #peak 748 #SUP 1.00 69 LEU QQD 70 HIS H 4.68 #weaker #peak 749 #SUP 0.96 #QF 0.96 69 LEU QQD 70 HIS H 3.68 #stronger #peak 750 #SUP 0.90 #QF 0.90 # 69 LEU QQD 70 HIS H 3.43 #peak 750 # 69 LEU QQD 70 HIS HA 4.64 #peak 1101 only one, no reciprocal, probably something else - check # 69 LEU QQD 70 HIS QB 5.27 #peak 665 69 LEU QQD 71 PRO HA 4.04 #07162015+0.5 #stronger #peak 1134 #SUP 0.99 #QF 0.99 69 LEU QQD 71 PRO HA 4.54 # weaker #peak 669 #SUP 0.98 #QF 0.98 # 69 LEU QQD 71 PRO HA 3.51 #peak 1134 69 LEU QQD 71 PRO QD 4.12 #peak 1126 # 69 LEU QQD 72 PRO QD 5.50 QD1 only #peak 1159 #SUP 0.96 #QF 0.96 # 69 LEU QQD 72 PRO HD3 5.50 #peak 282 #SUP 0.93 #QF 0.93 # 69 LEU QQD 72 PRO HD2 5.43 #peak 1152 # 69 LEU QQD 72 PRO HD3 4.01 #peak 1159 # 69 LEU QQD 72 PRO HG3 5.44 #peak 1199 70 HIS HA 71 PRO QD 3.62 #peak 1113 #SUP 0.99 #QF 0.99 # 70 HIS HA 71 PRO HD3 3.68 #peak 1114 #SUP 1.00 # 70 HIS HA 71 PRO HG2 4.66 #peak 1103 #SUP 1.00 not seen # 70 HIS HA 71 PRO HG3 4.66 #peak 1104 #SUP 0.99 #QF 0.99 70 HIS QB 71 PRO QD 4.90 #peak 1109 #SUP 1.00 weak on 70b, no reciprocal on 71d # 70 HIS HB2 71 PRO HD3 5.05 #peak 1115 #SUP 0.92 #QF 0.92 # 70 HIS HB3 71 PRO HD2 4.90 #peak 1110 #SUP 0.98 #QF 0.98 # 70 HIS HB3 71 PRO HD3 5.05 #peak 1107 #SUP 0.90 #QF 0.90 70 HIS HD2 71 PRO QD 4.77 #peak 308 #SUP 0.97 #QF 0.97 # 70 HIS HD2 71 PRO HD3 5.12 #peak 309 #SUP 0.99 #QF 0.99 # 70 HIS QB 71 PRO HD2 4.30 #peak 1109 # 70 HIS QB 71 PRO HD3 4.33 #peak 1115 71 PRO HA 72 PRO QD 3.64 #peak 1142 #SUP 1.00 # 71 PRO HA 72 PRO HD3 3.48 #peak 1143 #SUP 1.00 71 PRO HA 72 PRO HG3 4.95 #7/12+0.5 #peak 1190 #SUP 0.98 #QF 0.98 possible o/l own b (not assigned) # 71 PRO QG 72 PRO HD2 4.68 #peak 1155 # 71 PRO QG 72 PRO HD3 4.92 #peak 1156 71 PRO HA 75 LEU QB 4.51 #peak 1135 #SUP 0.75 #QF 0.75 chemical shift a bit off # 71 PRO HA 75 LEU HB3 5.25 #peak 1136 #SUP 0.65 #QF 0.65 71 PRO HA 75 LEU QQD 4.31 #peak 1133 weak # 71 PRO QG 75 LEU HB3 4.33 #peak 680 not seen # 71 PRO QG 75 LEU HG 5.20 #7/16 #peak 966 75 HG not assigned? # 71 PRO QG 75 LEU QQD 4.04 #peak 965 # 71 PRO HD2 76 LYS+ QE 5.26 #peak 1262 v weak, reciprocal on HE very overlapped # 71 PRO QG 79 LEU HB2 5.34 #peak 708 chemical shifts too close # 72 PRO HA 73 PRO HD2 3.65 #peak 1180 #SUP 1.00 # 72 PRO HA 73 PRO HD3 3.65 #peak 1179 #SUP 1.00 72 PRO HA 73 PRO QG 5.07 #peak 1219 #SUP 0.99 #QF 0.99 # 72 PRO HA 73 PRO HG3 4.50 #peak 1220 #SUP 1.00 72 PRO HA 73 PRO QD 3.16 #USE QD #peak 1179 72 PRO QB 73 PRO QD 4.44 #peak 1178 #SUP 0.98 #QF 0.61 # 72 PRO HB2 73 PRO HD3 4.44 #peak 1211 #SUP 0.99 #QF 0.90 # 72 PRO HB2 73 PRO QD 3.88 #peak 1178 # 72 PRO HB3 73 PRO HD2 4.58 #peak 1210 #SUP 0.99 #QF 0.90 # 72 PRO HB3 73 PRO HD3 4.58 #peak 1164 #SUP 1.00 #QF 0.95 # 72 PRO HB3 73 PRO QD 3.92 #peak 1210 72 PRO QB 74 HIS HE1 4.66 #peak 1913 #SUP 0.98 #QF 0.98 # 72 PRO HB3 74 HIS HE1 4.90 #peak 1914 #SUP 1.00 72 PRO QG 74 HIS HE1 4.08 #peak 1681 #SUP 0.99 #QF 0.99 # 72 PRO HG3 74 HIS HE1 4.12 #peak 1680 #SUP 1.00 # 72 PRO HD2 75 LEU HB2 4.26 #peak 1153 #SUP 0.99 #QF 0.99 72 PRO QD 75 LEU QB 4.48 #peak 1154 #SUP 0.99 #QF 0.99 72 PRO QD 75 LEU QQD 3.98 #stronger #peak 1841 #SUP 0.95 #QF 0.95 QD1 stronger 72 PRO QD 75 LEU QQD 4.48 #peak 1870 #SUP 0.98 #QF 0.98 # 72 PRO HD2 75 LEU QQD 3.53 #peak 1870 72 PRO QD 75 LEU H 5.17 #peak 553 #SUP 0.66 #QF 0.57 # 72 PRO HD3 75 LEU HB2 4.41 #peak 1158 #SUP 0.82 #QF 0.82 # 72 PRO HD3 75 LEU HB3 5.10 #7/16 #peak 1157 #SUP 0.92 #QF 0.92 # 72 PRO HD3 75 LEU QQD 3.74 #peak 1871 72 PRO QG 75 LEU H 4.00 #peak 558 #SUP 0.88 #QF 0.88 # 72 PRO HG2 75 LEU HB2 4.85 #peak 679 #SUP 1.00 #QF 0.88 not seen 72 PRO QG 75 LEU QQD 5.0 # QD1 stronger #peak 1837 #SUP 0.99 #QF 0.65 72 PRO QG 75 LEU QQD 5.50 #peak 965 #SUP 1.00 #QF 0.44 # 72 PRO HG2 75 LEU QQD 4.23 #peak 965 # 72 PRO HG3 75 LEU H 5.04 #peak 557 #SUP 0.82 #QF 0.82 # 72 PRO HG3 75 LEU HB2 4.63 #peak 1203 #SUP 0.98 #QF 0.98 not seen # 72 PRO HG3 75 LEU HG 5.50 #7/16 #peak 1200 #SUP 0.72 #QF 0.72 75HG not assigned # 72 PRO HG3 75 LEU QQD 4.09 #peak 1201 73 PRO QD 75 LEU H 5.33 #peak 553 73 PRO HA 76 LYS+ HA 5.43 #peak 1447 #SUP 0.88 #QF 0.88 no reciprocal on P73a 73 PRO HA 76 LYS+ QB 3.74 #peak 1443 #SUP 0.99 #QF 0.99 # 73 PRO HA 76 LYS+ HB3 4.66 #peak 1239 #SUP 1.00 # 73 PRO HA 76 LYS+ HG2 4.99 #peak 1446 #SUP 0.99 #QF 0.99 # 73 PRO HA 76 LYS+ HG3 4.99 #peak 1445 #SUP 0.99 #QF 0.99 73 PRO HA 76 LYS+ QD 3.54 #peak 1444 #SUP 0.95 #QF 0.95 73 PRO HA 76 LYS+ QE 4.44 #peak 1261 no reciprocal on P73a # 73 PRO HA 76 LYS+ QG 4.18 #peak 1445 73 PRO QB 76 LYS+ QD 4.49 #peak 1626 #SUP 0.99 #QF 0.99 too overlapped 74 HIS HD2 75 LEU QQD 4.40 #07202015+0.5 #peak 1650 peaks there, reciprocals present, check other possibilities 74 HIS HE1 75 LEU QQD 4.60 #peak 1872 peaks there, reciprocals present, check other possibilities 74 HIS QB 75 LEU H 4.54 #peak 555 #SUP 0.98 #QF 0.98 also aNi,i+1 74 HIS HA 76 LYS+ H 4.42 #peak 486 #SUP 0.56 #QF 0.56 74 HIS HA 77 THR H 3.96 #peak 258 #SUP 0.94 #QF 0.94 74 HIS HA 77 THR HB 3.94 #peak 1224 #SUP 0.96 #QF 0.96 74 HIS HA 77 THR QG2 5.10 #peak 1225 #SUP 0.98 #QF 0.98 74 HIS QB 77 THR H 5.50 #peak 262 #SUP 0.99 #QF 0.99 74 HIS QB 77 THR HB 4.82 #peak 312 #SUP 0.79 #QF 0.79 no reciprocal on 74b 75 LEU H 76 LYS+ H 3.64 #peak 495 #SUP 0.93 #QF 0.93 # 75 LEU H 76 LYS+ HA 5.11 #peak 554 #SUP 0.94 #QF 0.94 # 75 LEU H 76 LYS+ HB2 4.79 #peak 559 #SUP 0.94 #QF 0.94 # 75 LEU QQD 76 LYS+ H 5.50 #peak 493 #SUP 0.93 #QF 0.82 very weak # 75 LEU QQD 76 LYS+ H 5.50 #peak 493 #SUP 0.93 #QF 0.82 very weak # 75 LEU QQD 76 LYS+ H 4.72 #peak 493 75 LEU H 77 THR H 4.43 #peak 566 #SUP 0.99 #QF 0.99 75 LEU HA 78 GLN QG 4.50 #peak 604 #SUP 0.96 #QF 0.87 # 75 LEU HA 78 GLN HG3 4.36 #peak 98 #SUP 0.65 #QF 0.65 75 LEU HA 78 GLN QB 3.73 #peak 1327 #SUP 0.99 #QF 0.99 # 75 LEU HB3 78 GLN HG3 5.50 #peak 608 #SUP 0.98 #QF 0.66 not seeing it # 75 LEU HB3 78 GLN QB 4.88 #peak 1332 #SUP 0.99 #QF 0.90 not seeing it 75 LEU QQD 78 GLN H 4.52 #07152015+0.5 #peak 522 only to the L75QD at 0.4 # 75 LEU QQD 78 GLN HA 5.24 #peak 1842 probably to 72a 75 LEU QQD 78 GLN QG 4.31 #peak 609 # 75 LEU QQD 78 GLN HG3 4.19 #peak 1839 75 LEU QQD 78 GLN QB 3.59 #peak 1840 # 75 LEU HA 79 LEU H 4.79 #peak 570 #SUP 0.69 #QF 0.69 too overlapped 76 LYS+ H 77 THR H 3.67 #peak 256 #SUP 0.95 #QF 0.95 76 LYS+ QB 77 THR H 3.71 #peak 264 #SUP 0.94 #QF 0.94 # 76 LYS+ HB3 77 THR H 3.78 #peak 265 #SUP 0.96 #QF 0.96 # 76 LYS+ HB3 77 THR HA 4.70 #peak 438 #SUP 0.88 #QF 0.88 # 76 LYS+ QG 77 THR H 5.02 #peak 267 too close to 77QG2 76 LYS+ HA 78 GLN H 4.79 #peak 515 #SUP 0.90 #QF 0.90 76 LYS+ HA 79 LEU H 4.56 #peak 571 #SUP 0.69 #QF 0.69 76 LYS+ HA 79 LEU HA 5.50 #peak 1227 #SUP 0.96 #QF 0.96 no reciprocal on 79a 76 LYS+ HA 79 LEU QB 4.11 #peak 1228 #SUP 1.00 also QG # 76 LYS+ HA 79 LEU HB3 4.05 #peak 1231 #SUP 0.99 #QF 0.59 76 LYS+ HA 79 LEU QQD 4.51 #peak 1236 QD1 much stronger 76 LYS+ HA 80 GLU- H 4.49 #peak 503 #SUP 0.99 #QF 0.99 seems unlikely? # 76 LYS+ HB3 80 GLU- H 5.21 #peak 507 #SUP 0.92 #QF 0.92 too close to E80, L79B 77 THR H 78 GLN H 3.59 #peak 524 #SUP 0.97 #QF 0.97 # 77 THR HB 78 GLN HG2 4.91 #peak 604 #SUP 0.96 #QF 0.87 77 THR QG2 78 GLN H 3.57 #peak 520 #SUP 0.98 #QF 0.98 # 77 THR QG2 78 GLN HA 3.39 #peak 432 #SUP 0.95 #QF 0.91 # 77 THR QG2 78 GLN HG2 4.98 #peak 607 #SUP 0.96 #QF 0.96 # 77 THR QG2 78 GLN HG3 5.50 #peak 608 #SUP 0.98 #QF 0.66 # 77 THR QG2 78 GLN QB 5.18 #peak 1332 #SUP 0.99 #QF 0.90 # 77 THR H 80 GLU- HG3 4.44 #7/12 #peak 263 #SUP 0.66 #QF 0.66 77 THR HA 80 GLU- H 3.78 #peak 502 #SUP 0.96 #QF 0.96 77 THR HA 80 GLU- QB 3.91 #peak 436 #SUP 0.99 #QF 0.99 # 77 THR HA 80 GLU- HB3 4.65 #peak 247 #SUP 1.00 77 THR HA 80 GLU- QG 4.71 #peak 435 #SUP 0.99 #QF 0.99 no reciprocal on T77HA # 77 THR HA 80 GLU- HG3 4.53 #peak 437 #SUP 0.94 #QF 0.94 77 THR QG2 80 GLU- H 4.70 #peak 510 #SUP 0.85 #QF 0.85 77 THR HB 81 ILE QD1 5.32 #peak 298 #SUP 0.97 #QF 0.97 77 THR QG2 81 ILE QG1 4.35 #peak 891 #SUP 0.83 #QF 0.83 reciprocal on T77 overlapped # 77 THR QG2 81 ILE HG13 4.35 #peak 892 #SUP 0.99 #QF 0.99 77 THR QG2 81 ILE QD1 3.01 #peak 1800 #SUP 0.77 #QF 0.77 # 77 THR QG2 81 ILE QG1 3.74 #peak 892 77 THR QG2 81 ILE QG2 4.78 #peak 1808 #SUP 0.98 #QF 0.98 78 GLN H 79 LEU H 3.55 #peak 523 #SUP 0.93 #QF 0.93 # 78 GLN H 79 LEU HB3 4.93 #peak 519 #SUP 0.77 #QF 0.77 probably 76b 78 GLN QB 79 LEU H 3.72 #peak 572 #SUP 0.99 #QF 0.92 too close to 79b 78 GLN H 80 GLU- H 4.61 #peak 504 #SUP 0.89 #QF 0.89 79 and 80 NHs very close # 78 GLN H 81 ILE QG1 4.48 #7/2 #peak 521 # 78 GLN HA 81 ILE H 3.88 #peak 636 #SUP 0.92 #QF 0.92 not seen at 800MHz ? very close to #80a ? seem to see the xpk on N82N? 78 GLN HA 81 ILE HB 3.66 #peak 884 #SUP 0.97 #QF 0.97 78 GLN HA 81 ILE QD1 3.54 #peak 1801 #SUP 0.95 #QF 0.95 78 GLN HA 81 ILE QG2 4.19 #peak 1806 #SUP 0.99 #QF 0.99 78 GLN QG 81 ILE HB 5.50 #peak 885 #SUP 0.88 #QF 0.88 78 GLN QG 81 ILE QD1 5.33 #peak 611 #SUP 0.76 #QF 0.55 78 GLN QB 81 ILE QD1 4.84 #peak 31 #SUP 0.94 #QF 0.94 # 78 GLN QB 81 ILE QG1 5.34 #peak 1333 too overlapped 78 GLN HA 82 ASN H 4.25 #peak 387 #SUP 0.85 #QF 0.85 79 LEU QB 80 GLU- H 4.00 #peak 509 #SUP 0.96 #QF 0.96 # 79 LEU HB3 80 GLU- HA 4.99 #peak 598 #SUP 0.96 #QF 0.96 # 79 LEU HG 80 GLU- HA 5.50 #peak 735 #SUP 0.64 #QF 0.64 # 79 LEU QQD 80 GLU- H 5.50 #peak 512 #SUP 0.98 #QF 0.85 # 79 LEU QQD 80 GLU- H 5.50 #peak 511 #SUP 0.99 #QF 0.99 79 LEU QQD 80 GLU- H 4.08 #peak 511 # 79 LEU QQD 80 GLU- HB3 4.44 #peak 22 79 LEU HA 82 ASN H 3.97 #peak 389 #SUP 0.83 #QF 0.83 79 LEU HA 82 ASN QB 3.88 #peak 715 #SUP 0.99 #QF 0.99 # 79 LEU HA 82 ASN HB3 4.08 #peak 716 #SUP 0.85 #QF 0.85 # 79 LEU HB3 82 ASN HB2 5.50 #peak 130 #SUP 0.72 #QF 0.72 not seeing it 79 LEU QQD 82 ASN QB 4.89 #peak 506 # 79 LEU QQD 82 ASN HB3 5.44 #peak 507 # 80 GLU- H 81 ILE QG1 4.44 #peak 508 80 GLU- QB 81 ILE H 4.09 #peak 639 #SUP 0.91 #QF 0.91 # 80 GLU- HB2 81 ILE QD1 5.21 #peak 1799 #SUP 0.57 #QF 0.57 not seeing it 80 GLU- QG 81 ILE H 4.84 #peak 638 #SUP 0.95 #QF 0.95 not seen at 800MHz # 80 GLU- HG3 81 ILE H 4.42 #peak 640 #SUP 0.92 #QF 0.92 # 80 GLU- HA 82 ASN H 4.60 #peak 388 #SUP 0.93 #QF 0.93 chemical shift off 80 GLU- HA 83 GLY H 4.69 #peak 207 #SUP 0.87 #QF 0.87 80 GLU- HA 84 ARG+ H 4.37 #peak 710 #SUP 0.53 #QF 0.53 close to 84a 81 ILE H 82 ASN H 3.49 #peak 392 #SUP 0.98 #QF 0.98 chemical shifts off 81 ILE HB 82 ASN H 3.43 #peak 382 #SUP 0.97 #QF 0.97 # 81 ILE HG12 82 ASN H 5.10 #peak 381 #SUP 0.95 #QF 0.95 # 81 ILE HG13 82 ASN H 5.10 #peak 380 #SUP 0.98 #QF 0.98 small peak at 1.660 81 ILE QG1 82 ASN H 4.27 # USE QG1 #peak 380 81 ILE QG2 82 ASN H 3.95 #peak 379 #SUP 1.00 81 ILE QG2 82 ASN HA 3.82 #peak 1807 #SUP 0.98 #QF 0.98 seems to be there # 81 ILE H 83 GLY H 4.81 #peak 634 #SUP 0.84 #QF 0.84 very weak, no reciprocal 81 ILE HA 84 ARG+ H 4.16 #peak 712 #SUP 0.88 #QF 0.88 81 ILE HA 84 ARG+ QB 4.03 #peak 1027 #SUP 0.62 #QF 0.62 81 ILE QG2 84 ARG+ H 5.27 #07152015+0.5 #7/2 #peak 720 #SUP 0.94 #QF 0.94 seems to be there 82 ASN H 83 GLY H 3.86 #peak 393 #SUP 0.98 #QF 0.98 # 82 ASN H 83 GLY QA 5.03 #peak 384 overlap with own b 82 ASN QB 83 GLY H 3.90 #peak 206 #SUP 1.00 #QF 0.83 # 82 ASN HB3 83 GLY QA 4.63 #peak 1559 82 ASN H 84 ARG+ H 4.80 #7/12+0.5 #peak 707 #SUP 0.99 #QF 0.99 82 ASN HA 84 ARG+ H 5.01 #7/16+0.5 #peak 709 #SUP 0.98 #QF 0.98 # 82 ASN HB3 84 ARG+ H 5.08 #7/2 #peak 715 #SUP 0.85 #QF 0.85 shifts o/l G85HAs 83 GLY H 84 ARG+ H 3.76 #peak 708 #SUP 0.98 #QF 0.98 83 GLY H 85 ASN H 4.48 #peak 411 #SUP 0.81 #QF 0.81 83 GLY QA 86 ASN QB 4.90 #peak 1560 #SUP 0.78 #QF 0.78 no reciprocal on 83as # 83 GLY HA3 86 ASN QB 4.90 #peak 257 #SUP 0.90 #QF 0.90 83 GLY QA 86 ASN H 4.19 #peak 397 # 83 GLY QA 86 ASN QB 4.10 #peak 257 84 ARG+ H 85 ASN H 3.44 #peak 706 #SUP 0.99 #QF 0.99 # 84 ARG+ H 85 ASN QB 4.40 #peak 716 #SUP 0.95 #QF 0.95 84 ARG+ HA 85 ASN H 3.56 #peak 412 #SUP 0.99 #QF 0.99 84 ARG+ QB 85 ASN H 3.76 #loosen #peak 414 #SUP 0.95 #QF 0.95 # 84 ARG+ QB 85 ASN QB 4.80 #peak 260 #SUP 0.97 #QF 0.97 84 ARG+ QG 85 ASN H 4.38 #peak 39 #SUP 0.60 #QF 0.60 84 ARG+ HA 86 ASN H 4.68 #loosen #peak 398 #SUP 0.98 #QF 0.98 84 ARG+ QB 86 ASN H 5.05 #11/13+0.5 weak #peak 403 #SUP 0.99 #QF 0.99 # 84 ARG+ QG 86 ASN H 5.20 #peak 37 #SUP 0.75 #QF 0.75 not seen 84 ARG+ HA 87 LEU H 3.95 #peak 581 #SUP 0.96 #QF 0.96 84 ARG+ HA 87 LEU QB 5.50 #peak 102 #SUP 0.67 #QF 0.67 84 ARG+ HA 87 LEU QQD 4.82 #7/16+0.5 #peak 1024 #SUP 0.86 #QF 0.86 # 84 ARG+ HA 87 LEU QQD 4.32 #7/16rd #peak 361 #SUP 0.98 #QF 0.94 not there # 84 ARG+ HA 87 LEU QQD 3.53 #peak 1024 84 ARG+ QB 87 LEU H 4.84 #7/23 #peak 587 #SUP 0.97 #QF 0.97 seems to be there # 84 ARG+ QB 87 LEU QQD 4.96 #peak 743 too weak and overlapped # 84 ARG+ QG 87 LEU H 4.44 #peak 586 #SUP 1.00 #QF 0.52 o/l 87b 84 ARG+ QG 87 LEU QQD 3.77 #peak 300 # 84 ARG+ HA 88 ILE QG1 4.83 #peak 120 85 ASN H 86 ASN H 3.45 #peak 402 #SUP 1.00 # 85 ASN H 86 ASN QB 4.40 #peak 413 #SUP 0.91 #QF 0.91 85 ASN QB 86 ASN H 3.52 #peak 395 #SUP 0.92 #QF 0.92close to 86b 85 ASN H 87 LEU H 4.40 #peak 577 #SUP 0.98 #QF 0.98 no reciprocal on 85N # 85 ASN H 87 LEU QQD 5.03 #peak 417 v weak # 85 ASN H 88 ILE QD1 5.10 #peak 416 #SUP 0.99 #QF 0.99 very weak # 85 ASN H 88 ILE QG1 5.34 #peak 415 # 85 ASN HA 88 ILE HG12 4.29 #2/2/2015rm #peak 1736 #SUP 0.99 #QF 0.99 # 85 ASN HA 88 ILE HG13 4.29 #peak 1737 #SUP 0.98 #QF 0.98 85 ASN HA 88 ILE QD1 3.52 #peak 922 #SUP 0.92 #QF 0.92 85 ASN HA 88 ILE QG1 3.75 #Use QG1 #peak 1737 85 ASN HA 88 ILE HB 3.5 #strong 85 ASN HA 88 ILE QG2 5.14 #peak 920 #SUP 1.00 85 ASN QB 88 ILE QD1 4.64 #peak 261 #SUP 0.99 #QF 0.99 86 ASN H 87 LEU H 3.29 #peak 401 #SUP 0.97 #QF 0.97 # 86 ASN H 87 LEU HA 5.11 #2/2/2015rm #peak 399 #SUP 0.94 #QF 0.94 # 86 ASN H 87 LEU HB3 5.50 #peak 404 #SUP 1.00 #QF 0.99 # 86 ASN H 87 LEU QQD 4.32 #peak 405 # 86 ASN HA 87 LEU HA 5.50 #peak 675 #SUP 0.88 #QF 0.63 # 86 ASN HA 87 LEU HB3 4.78 #7/2 #peak 513 #SUP 0.72 #QF 0.72 86 ASN QB 87 LEU H 3.56 #peak 588 #SUP 0.95 #QF 0.95 # 86 ASN QB 87 LEU HB3 4.48 #peak 514 #SUP 0.82 #QF 0.82 # 86 ASN QB 87 LEU QQD 4.31 #peak 362 # 86 ASN H 88 ILE QG1 5.34 #peak 404 87 LEU H 88 ILE H 4.18 #peak 579 #SUP 0.99 #QF 0.99 # 87 LEU H 88 ILE QD1 4.70 #peak 583 #SUP 0.82 #QF 0.82 # 87 LEU H 88 ILE QG1 3.96 #peak 585 87 LEU HA 88 ILE H 4.26 #2/2/2015+1.0 #peak 652 #SUP 0.95 #QF 0.95 # 87 LEU HA 88 ILE QG1 4.88#2/2/2015rm #/128/2015 +0.5 #peak 18 87 LEU QB 88 ILE H 4.10 #7/16+0.5 #peak 649 #SUP 0.90 #QF 0.90 # 87 LEU HB2 88 ILE HA 4.96 #peak 738 #SUP 0.94 #QF 0.94 87 LEU QQD 88 ILE H 4.20 #it is there ? loosen #7/2 #peak 646 # 87 LEU QQD 88 ILE HA 3.67 #7/5 #peak 745 # 87 LEU QQD 88 ILE HB 5.44 #7/12 #peak 743 88 ILE HA 89 GLN H 4.85 #loosen #2/2+1 #1/28/2015 2.85 #peak 485 #SUP 0.83 #QF 0.83 88 ILE HB 89 GLN H 4.63 #loosen #7/12+0.5 #peak 488 #SUP 0.99 #QF 0.99 # 88 ILE HB 89 GLN QG 5.18 #peak 912 #SUP 0.99 #QF 0.99 88 ILE QG2 89 GLN H 3.75 #2/2/2015+0.5 #peak 491 #SUP 0.96 #QF 0.96 # 88 ILE QG2 89 GLN HA 4.22 #peak 919 #SUP 1.00 # 88 ILE QG2 89 GLN QB 4.96 #peak 917 # 88 ILE QG2 89 GLN QG 4.10 #7/23 #peak 918 #SUP 0.96 #QF 0.96 89 GLN HA 90 GLN H 2.75 #peak 857 #SUP 0.77 #QF 0.77 # 89 GLN HB2 90 GLN H 3.53 #peak 853 #SUP 0.91 #QF 0.91 # 89 GLN HB3 90 GLN H 4.03 #2/2/2015+0.5 #peak 854 #SUP 0.89 #QF 0.78 # 89 GLN QB 90 GLN H 2.79 use QB #peak 854 # 89 GLN QB 91 LYS+ QG 4.42 #peak 1409 probably to 90 QB (CB not assigned) # 89 GLN QG 91 LYS+ QG 5.21 #peak 588 #SUP 0.59 #QF 0.59 # 90 GLN H 91 LYS+ QG 4.52 #peak 856 #SUP 0.77 #QF 0.77 # 90 GLN QB 91 LYS+ H 3.60 #peak 111 #SUP 0.62 #QF 0.62 not there at 800MHz # 90 GLN QG 91 LYS+ H 4.35 #peak 817 #SUP 0.93 #QF 0.93 not there at 800MHz 91 LYS+ HA 92 ASN H 3.77 #2/2/2015+0.5 #1/28/2015 2.77 #peak 848 #SUP 0.76 #QF 0.76 # 91 LYS+ HB2 92 ASN H 4.16 #peak 844 #SUP 0.98 #QF 0.98 # 91 LYS+ HB3 92 ASN H 4.16 #peak 845 #SUP 1.00 91 LYS+ QB 92 ASN H 3.51 # USE QB #peak 844 91 LYS+ QG 92 ASN H 4.14 #peak 843 #SUP 1.00
Contact the webmaster for help, if required. Monday, May 6, 2024 9:08:52 AM GMT (wattos1)