============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 8 1.000 0.697 82.554 3.608 -99.200 -91.000 TYR 21 0.840 11.465 98.512 22.808 -99.200 -91.000 PHE 39 1.000 12.153 62.190 2.235 -99.200 -91.000 TRP 51 1.040 9.537 73.358 9.816 -99.200 -91.000 TRP6 51 1.020 8.842 75.285 10.989 -99.200 -91.000 TYR 52 0.840 14.694 72.448 15.309 -99.200 -91.000 HIS 53 0.900 13.107 77.717 8.880 -99.200 -91.000 TRP 65 1.040 1.456 89.843 18.718 -99.200 -91.000 TRP6 65 1.020 -0.366 88.672 19.644 -99.200 -91.000 PHE 76 1.000 -0.970 82.260 9.530 -99.200 -91.000 TYR 83 0.840 21.513 87.909 0.024 -99.200 -91.000 TRP 86 1.040 27.455 90.635 7.620 -99.200 -91.000 TRP6 86 1.020 25.417 89.468 7.370 -99.200 -91.000 PHE 102 1.000 -0.030 91.738 8.748 -99.200 -91.000 TYR 129 0.840 21.909 62.863 -12.843 -99.200 -91.000 HIS 148 0.900 15.076 90.840 -0.175 -99.200 -91.000 PHE 149 1.000 21.126 89.039 -5.438 -99.200 -91.000 TRP 155 1.040 16.133 66.824 -3.761 -99.200 -91.000 TRP6 155 1.020 18.110 65.601 -3.328 -99.200 -91.000 TRP 161 1.040 10.567 71.686 -16.611 -99.200 -91.000 TRP6 161 1.020 10.748 73.725 -15.408 -99.200 -91.000 PHE 182 1.000 21.609 78.101 10.161 -99.200 -91.000