============================================================================= 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 25.394 -4.725 30.408 -99.200 -91.000 TRP 14 1.040 20.651 -7.152 12.641 -99.200 -91.000 TRP6 14 1.020 21.429 -9.328 12.140 -99.200 -91.000 PHE 15 1.000 21.374 -0.891 17.539 -99.200 -91.000 TYR 19 0.840 25.526 8.032 18.573 -99.200 -91.000 HIS 22 0.900 22.342 18.153 21.068 -99.200 -91.000 TYR 28 0.840 21.184 5.760 20.679 -99.200 -91.000 TRP 39 1.040 18.262 2.901 0.619 -99.200 -91.000 TRP6 39 1.020 17.041 4.869 0.892 -99.200 -91.000 HIS 45 0.900 9.114 7.108 18.365 -99.200 -91.000 PHE 47 1.000 15.295 9.898 12.479 -99.200 -91.000 TYR 50 0.840 16.878 19.574 14.873 -99.200 -91.000 TYR 56 0.840 18.510 13.680 13.188 -99.200 -91.000 TYR 59 0.840 29.518 7.278 14.823 -99.200 -91.000 PHE 75 1.000 28.036 4.685 6.958 -99.200 -91.000 HIS 83 0.900 3.947 5.731 5.990 -99.200 -91.000 TYR 86 0.840 4.539 9.824 13.713 -99.200 -91.000 HIS 93 0.900 4.852 7.463 18.720 -99.200 -91.000 HIS 94 0.900 -2.176 4.994 14.864 -99.200 -91.000 TYR 125 0.840 0.279 -6.986 3.232 -99.200 -91.000 PHE 130 1.000 -0.726 -17.443 18.381 -99.200 -91.000 PHE 139 1.000 24.397 1.411 22.127 -99.200 -91.000 TYR 147 0.840 20.110 10.650 35.990 -99.200 -91.000 TYR 149 0.840 19.159 6.733 26.252 -99.200 -91.000 HIS 163 0.900 -2.135 -8.238 15.412 -99.200 -91.000 HIS 170 0.900 -6.763 -7.505 30.497 -99.200 -91.000 TYR 171 0.840 -2.534 -7.941 27.531 -99.200 -91.000 TYR 172 0.840 -0.328 -1.448 25.065 -99.200 -91.000 TRP 188 1.040 3.662 -9.976 32.004 -99.200 -91.000 TRP6 188 1.020 2.964 -8.904 30.038 -99.200 -91.000 TRP 217 1.040 2.877 2.266 20.175 -99.200 -91.000 TRP6 217 1.020 1.155 1.675 21.674 -99.200 -91.000 TYR 230 0.840 8.505 -4.596 19.378 -99.200 -91.000 HIS 235 0.900 0.576 -6.502 7.794 -99.200 -91.000 PHE 236 1.000 3.887 0.234 7.702 -99.200 -91.000 TRP 239 1.040 6.254 4.454 2.904 -99.200 -91.000 TRP6 239 1.020 8.083 4.538 4.369 -99.200 -91.000 HIS 243 0.900 9.280 6.099 0.070 -99.200 -91.000