============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 7 1.000 1.153 14.036 52.533 -99.200 -91.000 TYR 10 0.840 3.224 12.609 47.480 -99.200 -91.000 TYR 13 0.840 12.154 13.892 45.948 -99.200 -91.000 PHE 20 1.000 -7.074 9.403 41.078 -99.200 -91.000 TRP 23 1.040 -6.070 6.095 48.546 -99.200 -91.000 TRP6 23 1.020 -4.259 5.333 49.862 -99.200 -91.000 PHE 29 1.000 6.091 14.352 42.315 -99.200 -91.000 HIS 36 0.900 3.954 12.469 26.604 -99.200 -91.000 PHE 46 1.000 4.196 7.942 36.247 -99.200 -91.000 HIS 50 0.900 -2.780 5.212 43.680 -99.200 -91.000 PHE 63 1.000 -11.988 -16.945 45.542 -99.200 -91.000 TYR 81 0.840 -5.376 -5.574 32.627 -99.200 -91.000 TYR 85 0.840 -20.460 -6.374 39.385 -99.200 -91.000 TYR 97 0.840 2.463 -9.038 40.463 -99.200 -91.000 TYR 104 0.840 -2.730 -18.165 42.507 -99.200 -91.000 TRP 119 1.040 -17.447 -10.141 42.532 -99.200 -91.000 TRP6 119 1.020 -19.714 -10.375 41.882 -99.200 -91.000 HIS 122 0.900 -19.794 -14.289 43.905 -99.200 -91.000 PHE 164 1.000 1.821 -8.508 31.950 -99.200 -91.000 PHE 166 1.000 6.461 -12.626 40.936 -99.200 -91.000 TYR 184 0.840 -2.415 2.576 34.251 -99.200 -91.000 TYR 190 0.840 12.139 -3.438 34.203 -99.200 -91.000 TYR 193 0.840 3.751 -4.782 43.123 -99.200 -91.000 HIS 200 0.900 16.852 2.902 51.739 -99.200 -91.000 TRP 202 1.040 10.644 9.307 45.818 -99.200 -91.000 TRP6 202 1.020 8.633 9.227 44.580 -99.200 -91.000 TYR 212 0.840 21.086 5.776 33.103 -99.200 -91.000 PHE 227 1.000 -6.865 10.384 26.763 -99.200 -91.000 TYR 234 0.840 -13.920 -0.160 38.132 -99.200 -91.000 PHE 251 1.000 -5.324 -6.896 26.207 -99.200 -91.000 HIS 255 0.900 -13.958 -16.244 23.489 -99.200 -91.000 PHE 261 1.000 -14.869 -16.177 31.879 -99.200 -91.000 PHE 262 1.000 -19.624 -15.387 39.663 -99.200 -91.000 HIS 291 0.900 -16.016 9.737 33.660 -99.200 -91.000 TYR 293 0.840 -17.570 17.494 29.453 -99.200 -91.000 PHE 296 1.000 -25.669 14.542 21.944 -99.200 -91.000 PHE 352 1.000 -0.920 8.484 19.758 -99.200 -91.000