============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 19 0.840 37.442 6.594 5.823 -99.200 -91.000 TRP 23 1.040 42.711 -3.039 13.697 -99.200 -91.000 TRP6 23 1.020 41.793 -1.678 15.410 -99.200 -91.000 TYR 39 0.840 65.124 0.470 31.345 -99.200 -91.000 TYR 40 0.840 63.030 6.298 30.480 -99.200 -91.000 HIS 53 0.900 47.285 10.234 15.690 -99.200 -91.000 PHE 58 1.000 40.945 6.341 10.195 -99.200 -91.000 HIS 60 0.900 47.562 12.840 4.268 -99.200 -91.000 TYR 66 0.840 34.947 18.473 2.076 -99.200 -91.000 PHE 76 1.000 41.989 22.477 3.060 -99.200 -91.000 PHE 83 1.000 37.724 23.375 11.107 -99.200 -91.000 TRP 84 1.040 31.181 17.019 11.625 -99.200 -91.000 TRP6 84 1.020 32.198 16.498 13.702 -99.200 -91.000 PHE 93 1.000 45.006 7.095 12.427 -99.200 -91.000 TYR 104 0.840 48.859 -3.272 24.906 -99.200 -91.000 PHE 116 1.000 44.630 23.702 21.081 -99.200 -91.000 PHE 119 1.000 50.001 26.809 8.908 -99.200 -91.000 PHE 125 1.000 49.905 23.397 19.520 -99.200 -91.000 HIS 143 0.900 44.106 14.931 15.958 -99.200 -91.000 TYR 154 0.840 38.746 26.953 6.233 -99.200 -91.000 TYR 165 0.840 54.038 25.960 18.589 -99.200 -91.000 TYR 177 0.840 61.362 13.615 13.472 -99.200 -91.000 TYR 200 0.840 75.441 24.032 6.508 -99.200 -91.000 TYR 205 0.840 73.885 11.051 -0.770 -99.200 -91.000 TYR 220 0.840 60.223 20.803 8.281 -99.200 -91.000 PHE 233 1.000 68.707 8.559 19.062 -99.200 -91.000 PHE 235 1.000 62.390 5.159 15.978 -99.200 -91.000 TYR 244 0.840 62.333 -1.415 25.927 -99.200 -91.000 PHE 258 1.000 73.105 19.694 14.428 -99.200 -91.000