============================================================================= 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 -0.543 25.712 16.188 -99.200 -91.000 TRP6 14 1.020 0.265 27.853 15.600 -99.200 -91.000 PHE 19 1.000 -16.707 15.076 19.495 -99.200 -91.000 TRP 37 1.040 -1.703 16.068 3.966 -99.200 -91.000 TRP6 37 1.020 -1.822 13.709 4.088 -99.200 -91.000 HIS 43 0.900 -1.625 7.682 23.025 -99.200 -91.000 TYR 47 0.840 -2.465 1.587 24.450 -99.200 -91.000 TRP 49 1.040 -6.103 2.037 27.370 -99.200 -91.000 TRP6 49 1.020 -5.234 4.223 27.580 -99.200 -91.000 PHE 53 1.000 -10.970 5.020 17.901 -99.200 -91.000 HIS 65 0.900 -11.004 29.684 23.782 -99.200 -91.000 TYR 70 0.840 -21.326 23.651 15.422 -99.200 -91.000 TYR 84 0.840 -1.668 8.044 4.669 -99.200 -91.000 HIS 86 0.900 7.452 5.703 11.833 -99.200 -91.000 TYR 89 0.840 1.821 3.271 17.732 -99.200 -91.000 TRP 91 1.040 0.055 -1.760 19.447 -99.200 -91.000 TRP6 91 1.020 -0.860 -3.300 20.994 -99.200 -91.000 PHE 110 1.000 -4.629 27.495 5.591 -99.200 -91.000 TYR 113 0.840 -11.978 33.164 15.020 -99.200 -91.000 HIS 115 0.900 -1.964 30.838 9.281 -99.200 -91.000 TYR 132 0.840 17.540 27.057 23.761 -99.200 -91.000 TRP 139 1.040 -10.218 22.070 24.113 -99.200 -91.000 TRP6 139 1.020 -9.480 22.018 21.865 -99.200 -91.000 PHE 175 1.000 10.387 17.031 22.556 -99.200 -91.000 TYR 179 0.840 8.893 25.287 34.525 -99.200 -91.000 PHE 198 1.000 7.497 20.975 23.726 -99.200 -91.000 PHE 204 1.000 17.284 31.448 15.375 -99.200 -91.000 TRP 208 1.040 3.977 30.774 17.191 -99.200 -91.000 TRP6 208 1.020 4.368 30.315 19.475 -99.200 -91.000 TYR 209 0.840 9.779 26.702 12.238 -99.200 -91.000 TRP 216 1.040 5.850 7.995 26.609 -99.200 -91.000 TRP6 216 1.020 7.052 7.548 28.596 -99.200 -91.000 TYR 226 0.840 11.570 15.740 34.597 -99.200 -91.000 PHE 228 1.000 9.894 10.727 28.832 -99.200 -91.000 TYR 229 0.840 5.656 16.938 25.606 -99.200 -91.000 HIS 231 0.900 13.404 14.901 17.975 -99.200 -91.000 PHE 233 1.000 14.978 17.094 11.628 -99.200 -91.000 TRP 238 1.040 5.371 7.652 8.320 -99.200 -91.000 TRP6 238 1.020 3.837 8.882 9.636 -99.200 -91.000 PHE 246 1.000 -2.145 10.214 -1.902 -99.200 -91.000