============================================================================= 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 14 1.040 9.055 -1.952 17.138 -99.200 -91.000 TRP6 14 1.020 10.927 -2.288 18.547 -99.200 -91.000 TYR 18 0.840 12.660 -3.586 12.949 -99.200 -91.000 PHE 32 1.000 22.053 -4.957 29.988 -99.200 -91.000 PHE 33 1.000 26.169 -5.854 27.069 -99.200 -91.000 PHE 36 1.000 22.508 -1.452 35.027 -99.200 -91.000 TYR 42 0.840 25.114 -13.694 31.986 -99.200 -91.000 PHE 43 1.000 26.099 -10.881 25.531 -99.200 -91.000 PHE 46 1.000 29.724 -7.827 24.406 -99.200 -91.000 HIS 48 0.900 37.789 -10.113 30.925 -99.200 -91.000 HIS 64 0.900 21.816 -10.228 23.146 -99.200 -91.000 HIS 80 0.900 -2.464 -8.677 16.005 -99.200 -91.000 HIS 96 0.900 18.058 -15.002 26.074 -99.200 -91.000 HIS 100 0.900 21.786 -17.877 24.891 -99.200 -91.000 TYR 106 0.840 22.556 -9.472 34.924 -99.200 -91.000 PHE 107 1.000 15.673 -11.897 29.657 -99.200 -91.000 PHE 122 1.000 10.080 8.012 19.501 -99.200 -91.000 PHE 126 1.000 8.034 8.008 26.257 -99.200 -91.000 TRP 134 1.040 6.620 2.856 24.493 -99.200 -91.000 TRP6 134 1.020 8.107 1.284 23.563 -99.200 -91.000 TYR 142 0.840 11.307 -9.217 35.398 -99.200 -91.000 HIS 144 0.900 3.451 -13.352 28.773 -99.200 -91.000 TYR 149 0.840 15.204 -16.931 33.172 -99.200 -91.000 TRP 154 1.040 17.240 -18.950 37.673 -99.200 -91.000 TRP6 154 1.020 19.042 -19.091 36.142 -99.200 -91.000