============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 24.208 -2.962 13.535 -99.200 -91.000 TRP 14 1.040 19.932 -9.077 30.175 -99.200 -91.000 TRP6 14 1.020 20.313 -11.315 29.508 -99.200 -91.000 PHE 15 1.000 19.135 -2.358 26.359 -99.200 -91.000 TYR 19 0.840 12.672 4.994 23.606 -99.200 -91.000 HIS 22 0.900 12.171 16.068 25.124 -99.200 -91.000 TYR 28 0.840 17.977 4.694 24.370 -99.200 -91.000 TRP 39 1.040 11.143 -3.113 42.023 -99.200 -91.000 TRP6 39 1.020 11.300 -0.840 42.667 -99.200 -91.000 HIS 45 0.900 25.175 8.962 33.669 -99.200 -91.000 PHE 47 1.000 16.635 7.567 34.818 -99.200 -91.000 TYR 50 0.840 15.736 17.515 31.776 -99.200 -91.000 TYR 56 0.840 12.589 10.084 32.725 -99.200 -91.000 TYR 59 0.840 8.289 1.355 24.041 -99.200 -91.000 PHE 75 1.000 5.910 -2.902 31.310 -99.200 -91.000 HIS 83 0.900 23.352 5.807 46.486 -99.200 -91.000 TYR 86 0.840 25.249 11.328 39.998 -99.200 -91.000 HIS 93 0.900 29.485 11.223 35.908 -99.200 -91.000 HIS 94 0.900 33.015 9.514 43.055 -99.200 -91.000 TYR 125 0.840 31.143 -6.130 49.733 -99.200 -91.000 PHE 130 1.000 39.498 -7.436 39.209 -99.200 -91.000 PHE 139 1.000 18.125 0.191 21.026 -99.200 -91.000 TYR 147 0.840 24.207 14.074 13.407 -99.200 -91.000 TYR 149 0.840 22.128 8.012 20.961 -99.200 -91.000 HIS 163 0.900 41.003 0.010 42.930 -99.200 -91.000 HIS 170 0.900 51.415 7.073 31.279 -99.200 -91.000 TYR 171 0.840 45.550 1.477 32.182 -99.200 -91.000 TYR 172 0.840 39.703 5.942 33.439 -99.200 -91.000 TRP 188 1.040 43.960 -0.421 24.488 -99.200 -91.000 TRP6 188 1.020 42.996 -0.110 26.624 -99.200 -91.000 TRP 217 1.040 33.080 7.040 35.625 -99.200 -91.000 TRP6 217 1.020 35.428 7.326 35.485 -99.200 -91.000 TYR 230 0.840 31.290 -1.028 32.066 -99.200 -91.000 HIS 235 0.900 31.936 -3.751 46.234 -99.200 -91.000 PHE 236 1.000 26.540 1.065 44.717 -99.200 -91.000 TRP 239 1.040 20.496 2.696 47.312 -99.200 -91.000 TRP6 239 1.020 19.765 2.419 45.078 -99.200 -91.000 HIS 243 0.900 16.434 2.975 48.485 -99.200 -91.000