============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 36 1.000 57.034 22.920 40.144 -99.200 -91.000 TRP 39 1.040 65.306 19.184 29.108 -99.200 -91.000 TRP6 39 1.020 67.429 20.069 28.501 -99.200 -91.000 TYR 53 0.840 54.570 17.755 32.368 -99.200 -91.000 PHE 66 1.000 62.154 15.797 20.836 -99.200 -91.000 PHE 75 1.000 67.523 18.519 36.376 -99.200 -91.000 TYR 90 0.840 66.231 20.729 20.756 -99.200 -91.000 TYR 91 0.840 66.001 28.850 24.252 -99.200 -91.000 TRP 93 1.040 61.114 28.280 32.944 -99.200 -91.000 TRP6 93 1.020 59.498 27.095 34.202 -99.200 -91.000 HIS 97 0.900 65.508 27.127 44.192 -99.200 -91.000 PHE 98 1.000 60.525 36.053 42.639 -99.200 -91.000 TYR 100 0.840 59.185 30.994 38.916 -99.200 -91.000 PHE 102 1.000 62.712 30.770 29.796 -99.200 -91.000 PHE 122 1.000 67.254 37.999 -9.039 -99.200 -91.000 PHE 139 1.000 67.451 36.742 -3.654 -99.200 -91.000 PHE 143 1.000 75.042 28.890 1.658 -99.200 -91.000 TYR 144 0.840 75.760 21.062 5.821 -99.200 -91.000 TRP 152 1.040 77.926 42.436 -3.946 -99.200 -91.000 TRP6 152 1.020 76.272 42.271 -5.622 -99.200 -91.000 TRP 167 1.040 74.839 35.131 6.239 -99.200 -91.000 TRP6 167 1.020 75.218 37.264 7.200 -99.200 -91.000 TYR 177 0.840 73.051 26.420 7.532 -99.200 -91.000 TYR 190 0.840 72.508 50.006 -12.231 -99.200 -91.000 HIS 193 0.900 81.207 52.699 -12.398 -99.200 -91.000 TYR 196 0.840 76.572 47.471 -11.864 -99.200 -91.000 HIS 202 0.900 79.559 26.000 0.080 -99.200 -91.000 PHE 213 1.000 73.190 43.499 -13.467 -99.200 -91.000