============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 2 1.040 14.588 3.600 -2.854 -99.200 -91.000 TRP6 2 1.020 14.484 1.867 -1.244 -99.200 -91.000 TYR 6 0.840 14.432 16.229 2.111 -99.200 -91.000 PHE 8 1.000 12.468 6.364 0.574 -99.200 -91.000 TYR 23 0.840 8.874 16.043 8.078 -99.200 -91.000 HIS 26 0.900 12.283 22.458 8.259 -99.200 -91.000 TYR 44 0.840 6.977 8.565 22.842 -99.200 -91.000 HIS 51 0.900 8.542 19.664 18.584 -99.200 -91.000 PHE 64 1.000 8.318 7.003 10.461 -99.200 -91.000 PHE 69 1.000 12.501 -3.847 17.153 -99.200 -91.000 TRP 75 1.040 -2.244 -0.329 23.465 -99.200 -91.000 TRP6 75 1.020 -1.196 1.324 24.785 -99.200 -91.000 PHE 83 1.000 1.116 5.463 26.942 -99.200 -91.000 TYR 88 0.840 5.437 9.756 27.472 -99.200 -91.000 PHE 92 1.000 8.031 13.690 19.401 -99.200 -91.000 PHE 95 1.000 5.535 10.608 10.285 -99.200 -91.000 TYR 109 0.840 12.728 3.004 10.394 -99.200 -91.000 PHE 111 1.000 17.600 6.722 1.745 -99.200 -91.000 HIS 117 0.900 25.657 -0.732 5.507 -99.200 -91.000 TRP 126 1.040 14.198 -3.591 22.825 -99.200 -91.000 TRP6 126 1.020 13.429 -5.786 22.344 -99.200 -91.000 PHE 128 1.000 11.148 4.380 22.532 -99.200 -91.000 PHE 131 1.000 18.520 4.548 11.116 -99.200 -91.000 TYR 143 0.840 23.070 9.162 16.914 -99.200 -91.000 TYR 150 0.840 17.919 15.962 27.371 -99.200 -91.000