============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 3 1.000 57.446 16.146 88.701 -99.200 -91.000 PHE 66 1.000 54.799 21.808 97.161 -99.200 -91.000 PHE 71 1.000 55.902 15.899 100.205 -99.200 -91.000 PHE 72 1.000 50.295 20.894 103.497 -99.200 -91.000 TYR 83 0.840 51.248 19.790 108.756 -99.200 -91.000 TRP 94 1.040 62.504 7.041 97.129 -99.200 -91.000 TRP6 94 1.020 61.160 7.527 95.241 -99.200 -91.000 PHE 101 1.000 59.631 10.512 98.874 -99.200 -91.000 TYR 102 0.840 65.528 14.450 94.197 -99.200 -91.000 TRP 109 1.040 61.610 2.087 93.270 -99.200 -91.000 TRP6 109 1.020 59.596 2.952 94.171 -99.200 -91.000 TYR 116 0.840 53.052 4.683 106.275 -99.200 -91.000 TYR 129 0.840 40.988 16.792 106.084 -99.200 -91.000 TYR 137 0.840 62.169 13.266 83.117 -99.200 -91.000 TRP 138 1.040 65.767 16.365 91.153 -99.200 -91.000 TRP6 138 1.020 64.370 18.122 91.894 -99.200 -91.000