============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 10 1.000 20.021 -9.563 18.028 -99.200 -91.000 TRP 15 1.040 19.471 3.383 9.971 -99.200 -91.000 TRP6 15 1.020 19.044 1.205 9.152 -99.200 -91.000 TYR 34 0.840 19.339 -18.078 24.207 -99.200 -91.000 TYR 47 0.840 22.622 -7.443 4.301 -99.200 -91.000 PHE 58 1.000 20.403 -5.353 9.335 -99.200 -91.000 TRP 62 1.040 14.089 -0.605 6.902 -99.200 -91.000 TRP6 62 1.020 12.284 0.925 6.863 -99.200 -91.000 TYR 73 0.840 26.779 -10.329 1.199 -99.200 -91.000 TYR 91 0.840 14.882 4.744 3.326 -99.200 -91.000 PHE 107 1.000 12.134 10.578 -5.612 -99.200 -91.000 HIS 113 0.900 11.295 24.363 -6.487 -99.200 -91.000 TYR 122 0.840 21.335 18.685 4.023 -99.200 -91.000 PHE 143 1.000 13.311 11.160 -11.155 -99.200 -91.000 PHE 148 1.000 20.180 18.967 -6.559 -99.200 -91.000 PHE 174 1.000 13.451 15.422 5.326 -99.200 -91.000 TRP 177 1.040 13.000 6.180 8.824 -99.200 -91.000 TRP6 177 1.020 14.883 7.565 8.443 -99.200 -91.000 HIS 180 0.900 12.520 9.102 13.049 -99.200 -91.000 PHE 186 1.000 11.310 17.927 12.548 -99.200 -91.000 TYR 190 0.840 7.080 10.203 3.920 -99.200 -91.000 PHE 198 1.000 14.860 6.364 -2.178 -99.200 -91.000 TYR 202 0.840 3.244 9.289 -2.132 -99.200 -91.000 HIS 208 0.900 11.261 -8.821 4.274 -99.200 -91.000 TYR 215 0.840 21.707 -17.964 14.828 -99.200 -91.000 PHE 231 1.000 10.047 -6.178 15.802 -99.200 -91.000 TRP 257 1.040 5.199 -0.904 23.322 -99.200 -91.000 TRP6 257 1.020 4.789 -3.087 22.513 -99.200 -91.000 TRP 268 1.040 6.319 -11.036 19.175 -99.200 -91.000 TRP6 268 1.020 6.718 -9.021 20.344 -99.200 -91.000