============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 29 0.840 -9.928 -7.759 39.558 -99.200 -91.000 TYR 37 0.840 10.802 -0.513 22.204 -99.200 -91.000 PHE 51 1.000 5.792 -4.931 35.703 -99.200 -91.000 PHE 55 1.000 3.492 -7.172 39.886 -99.200 -91.000 PHE 63 1.000 10.551 -4.408 23.726 -99.200 -91.000 PHE 80 1.000 12.078 -13.661 22.383 -99.200 -91.000 HIS 90 0.900 4.639 -2.347 13.080 -99.200 -91.000 PHE 92 1.000 3.465 -1.358 5.095 -99.200 -91.000 PHE 113 1.000 1.128 -12.821 20.924 -99.200 -91.000 HIS 120 0.900 -2.245 4.136 14.039 -99.200 -91.000 PHE 126 1.000 1.130 5.372 3.483 -99.200 -91.000 TYR 146 0.840 -1.601 -14.482 12.764 -99.200 -91.000 PHE 168 1.000 -3.896 -16.046 22.473 -99.200 -91.000 PHE 187 1.000 -15.799 -10.565 15.118 -99.200 -91.000 TYR 198 0.840 -1.814 3.352 31.394 -99.200 -91.000