============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 20.346 30.056 40.747 -99.200 -91.000 TRP6 14 1.020 18.987 31.883 41.391 -99.200 -91.000 PHE 19 1.000 38.381 24.064 36.199 -99.200 -91.000 TRP 37 1.040 23.590 20.080 52.293 -99.200 -91.000 TRP6 37 1.020 24.380 17.856 52.134 -99.200 -91.000 HIS 43 0.900 24.851 13.217 32.823 -99.200 -91.000 TYR 47 0.840 27.663 6.674 31.069 -99.200 -91.000 TRP 49 1.040 31.321 7.368 27.065 -99.200 -91.000 TRP6 49 1.020 30.357 9.503 26.748 -99.200 -91.000 PHE 53 1.000 35.598 12.719 37.542 -99.200 -91.000 HIS 65 0.900 29.540 37.289 33.193 -99.200 -91.000 TYR 70 0.840 40.915 33.135 41.227 -99.200 -91.000 TYR 84 0.840 26.533 12.352 50.914 -99.200 -91.000 HIS 86 0.900 17.434 8.141 44.120 -99.200 -91.000 TYR 89 0.840 23.386 7.439 37.721 -99.200 -91.000 TRP 91 1.040 25.267 2.996 36.255 -99.200 -91.000 TRP6 91 1.020 26.617 1.530 34.984 -99.200 -91.000 PHE 110 1.000 24.379 31.998 51.290 -99.200 -91.000 TYR 113 0.840 29.504 39.916 42.163 -99.200 -91.000 HIS 115 0.900 20.620 34.897 47.917 -99.200 -91.000 TYR 132 0.840 2.393 27.676 33.155 -99.200 -91.000 TRP 139 1.040 30.397 29.262 32.599 -99.200 -91.000 TRP6 139 1.020 29.608 28.753 34.771 -99.200 -91.000 PHE 178 1.000 11.394 19.310 33.908 -99.200 -91.000 TYR 182 0.840 11.207 28.128 22.270 -99.200 -91.000 PHE 201 1.000 13.370 24.096 32.852 -99.200 -91.000 PHE 207 1.000 1.804 31.010 42.527 -99.200 -91.000 TRP 211 1.040 14.712 34.146 39.833 -99.200 -91.000 TRP6 211 1.020 14.413 33.778 37.509 -99.200 -91.000 TYR 212 0.840 10.102 28.425 44.645 -99.200 -91.000 TRP 219 1.040 17.972 11.643 29.448 -99.200 -91.000 TRP6 219 1.020 16.831 11.171 27.430 -99.200 -91.000 TYR 229 0.840 10.506 18.335 21.973 -99.200 -91.000 PHE 231 1.000 13.546 13.582 27.410 -99.200 -91.000 TYR 232 0.840 16.049 20.464 31.148 -99.200 -91.000 HIS 234 0.900 9.060 16.654 38.905 -99.200 -91.000 PHE 236 1.000 7.298 18.005 45.055 -99.200 -91.000 TRP 241 1.040 18.640 10.219 47.540 -99.200 -91.000 TRP6 241 1.020 20.106 11.750 46.494 -99.200 -91.000 PHE 249 1.000 25.164 17.027 57.870 -99.200 -91.000