============================================================================= 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 8.301 7.271 18.266 -99.200 -91.000 TRP6 14 1.020 7.025 9.111 19.019 -99.200 -91.000 PHE 19 1.000 13.025 -4.146 2.554 -99.200 -91.000 TRP 37 1.040 22.768 11.316 14.088 -99.200 -91.000 TRP6 37 1.020 24.512 9.731 13.975 -99.200 -91.000 HIS 43 0.900 19.151 -8.267 19.030 -99.200 -91.000 TYR 47 0.840 23.480 -13.135 18.716 -99.200 -91.000 TRP 49 1.040 21.410 -16.901 16.345 -99.200 -91.000 TRP6 49 1.020 19.456 -15.662 16.816 -99.200 -91.000 PHE 53 1.000 22.185 -8.006 8.266 -99.200 -91.000 HIS 65 0.900 -0.962 1.598 10.106 -99.200 -91.000 TYR 70 0.840 7.416 2.695 -2.083 -99.200 -91.000 TYR 84 0.840 29.401 6.109 13.665 -99.200 -91.000 HIS 86 0.900 28.574 0.929 24.452 -99.200 -91.000 TYR 89 0.840 26.509 -6.321 20.663 -99.200 -91.000 TRP 91 1.040 29.817 -10.155 20.008 -99.200 -91.000 TRP6 91 1.020 30.588 -12.368 19.808 -99.200 -91.000 PHE 110 1.000 11.876 15.782 11.390 -99.200 -91.000 TYR 113 0.840 1.029 10.258 7.387 -99.200 -91.000 HIS 115 0.900 7.824 15.502 15.197 -99.200 -91.000 TYR 132 0.840 5.675 5.438 37.682 -99.200 -91.000 TRP 139 1.040 5.572 -2.913 10.784 -99.200 -91.000 TRP6 139 1.020 6.864 -0.950 10.967 -99.200 -91.000 PHE 175 1.000 13.539 -0.654 30.442 -99.200 -91.000 TYR 179 0.840 0.246 -6.160 32.005 -99.200 -91.000 PHE 198 1.000 9.294 0.149 27.991 -99.200 -91.000 PHE 204 1.000 7.044 14.731 35.965 -99.200 -91.000 TRP 208 1.040 4.164 10.187 23.004 -99.200 -91.000 TRP6 208 1.020 3.322 8.207 23.983 -99.200 -91.000 TYR 209 0.840 11.274 12.891 27.321 -99.200 -91.000 TRP 216 1.040 18.338 -9.973 26.675 -99.200 -91.000 TRP6 216 1.020 17.862 -11.527 28.380 -99.200 -91.000 TYR 226 0.840 8.522 -10.811 34.203 -99.200 -91.000 PHE 228 1.000 15.273 -9.670 31.184 -99.200 -91.000 TYR 229 0.840 11.505 -4.026 26.524 -99.200 -91.000 HIS 231 0.900 18.602 2.561 32.313 -99.200 -91.000 PHE 233 1.000 20.386 9.000 32.278 -99.200 -91.000 TRP 238 1.040 28.688 4.690 22.230 -99.200 -91.000 TRP6 238 1.020 26.905 4.096 20.802 -99.200 -91.000 PHE 246 1.000 32.717 9.076 14.683 -99.200 -91.000