============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 -8.953 78.838 154.843 -99.200 -91.000 TRP6 14 1.020 -9.856 80.223 153.154 -99.200 -91.000 PHE 19 1.000 -1.299 63.443 158.379 -99.200 -91.000 TRP 37 1.040 4.531 82.838 161.451 -99.200 -91.000 TRP6 37 1.020 5.115 82.327 163.684 -99.200 -91.000 HIS 43 0.900 -8.268 70.874 171.700 -99.200 -91.000 TYR 47 0.840 -6.776 67.537 177.728 -99.200 -91.000 TRP 49 1.040 -7.034 62.783 177.431 -99.200 -91.000 TRP6 49 1.020 -8.084 62.930 175.318 -99.200 -91.000 PHE 53 1.000 1.609 64.598 170.507 -99.200 -91.000 HIS 65 0.900 -11.302 66.861 147.389 -99.200 -91.000 TYR 69 0.840 1.991 62.365 146.797 -99.200 -91.000 TYR 83 0.840 6.657 80.625 169.263 -99.200 -91.000 HIS 85 0.900 -2.740 83.224 175.758 -99.200 -91.000 TYR 88 0.840 -4.368 74.792 176.650 -99.200 -91.000 TRP 90 1.040 -3.171 72.569 181.155 -99.200 -91.000 TRP6 90 1.020 -3.503 71.015 182.909 -99.200 -91.000 PHE 107 1.000 1.059 82.030 150.068 -99.200 -91.000 TYR 110 0.840 -5.153 72.810 143.348 -99.200 -91.000 HIS 112 0.900 -4.554 83.013 148.367 -99.200 -91.000 TYR 128 0.840 -24.700 88.755 161.260 -99.200 -91.000 TRP 135 1.040 -9.831 65.640 155.202 -99.200 -91.000 TRP6 135 1.020 -8.280 67.421 155.096 -99.200 -91.000 PHE 171 1.000 -17.086 81.895 167.853 -99.200 -91.000 TYR 175 0.840 -28.183 75.119 161.351 -99.200 -91.000 PHE 194 1.000 -17.726 79.773 162.891 -99.200 -91.000 PHE 200 1.000 -18.987 94.955 156.031 -99.200 -91.000 TRP 204 1.040 -13.862 83.040 151.823 -99.200 -91.000 TRP6 204 1.020 -15.786 81.982 152.697 -99.200 -91.000 TYR 205 0.840 -11.267 89.484 157.272 -99.200 -91.000 TRP 212 1.040 -14.656 73.703 175.066 -99.200 -91.000 TRP6 212 1.020 -16.781 73.715 176.105 -99.200 -91.000 TYR 222 0.840 -26.843 75.399 171.006 -99.200 -91.000 PHE 224 1.000 -19.736 76.510 174.188 -99.200 -91.000 TYR 225 0.840 -16.909 76.237 166.444 -99.200 -91.000 HIS 227 0.900 -14.232 86.612 169.893 -99.200 -91.000 PHE 229 1.000 -11.064 91.866 167.480 -99.200 -91.000 TRP 234 1.040 0.076 84.625 172.573 -99.200 -91.000 TRP6 234 1.020 -0.216 82.731 171.193 -99.200 -91.000