============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 27 1.000 2.191 -10.627 58.560 -99.200 -91.000 PHE 29 1.000 -3.585 -13.490 59.083 -99.200 -91.000 TYR 32 0.840 1.521 -7.098 62.438 -99.200 -91.000 TYR 33 0.840 -6.512 -3.365 64.252 -99.200 -91.000 TRP 36 1.040 -9.145 -7.456 51.801 -99.200 -91.000 TRP6 36 1.020 -8.043 -8.591 50.023 -99.200 -91.000 TRP 47 1.040 -9.051 1.105 54.773 -99.200 -91.000 TRP6 47 1.020 -11.060 1.260 56.021 -99.200 -91.000 PHE 50 1.000 -10.053 -1.493 60.879 -99.200 -91.000 TYR 58 0.840 -8.816 -13.085 65.360 -99.200 -91.000 TYR 62 0.840 -16.838 -4.544 56.191 -99.200 -91.000 PHE 70 1.000 -16.783 -4.840 47.699 -99.200 -91.000 TYR 82 0.840 -9.985 -16.661 52.605 -99.200 -91.000 TYR 96 0.840 -11.012 -4.933 44.399 -99.200 -91.000 TYR 97 0.840 -2.472 -2.688 45.085 -99.200 -91.000 HIS 102 0.900 -3.036 0.019 65.567 -99.200 -91.000 TYR 105 0.840 3.913 1.996 69.531 -99.200 -91.000 TYR 106 0.840 5.774 0.306 65.431 -99.200 -91.000 PHE 109 1.000 -3.231 0.625 55.592 -99.200 -91.000 TYR 111 0.840 6.419 -5.659 55.440 -99.200 -91.000 TRP 112 1.040 0.860 -1.167 50.911 -99.200 -91.000 TRP6 112 1.020 -1.179 -0.185 50.231 -99.200 -91.000 TYR 131 0.840 -0.464 -11.596 15.199 -99.200 -91.000 TYR 147 0.840 -4.735 -8.207 26.146 -99.200 -91.000 PHE 148 1.000 -12.777 -7.545 28.430 -99.200 -91.000 TRP 156 1.040 10.877 -8.621 25.585 -99.200 -91.000 TRP6 156 1.020 10.715 -9.271 23.314 -99.200 -91.000 HIS 166 0.900 11.300 1.693 26.604 -99.200 -91.000 PHE 168 1.000 5.793 0.996 23.814 -99.200 -91.000 TYR 177 0.840 -8.224 -3.832 27.829 -99.200 -91.000 TRP 190 1.040 17.635 -11.370 16.907 -99.200 -91.000 TRP6 190 1.020 17.047 -10.416 14.835 -99.200 -91.000 HIS 201 0.900 -5.944 -13.150 28.333 -99.200 -91.000