============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 15 1.040 8.728 -13.959 62.716 -99.200 -91.000 TRP6 15 1.020 10.901 -13.780 63.616 -99.200 -91.000 PHE 21 1.000 2.577 -8.821 56.728 -99.200 -91.000 HIS 34 0.900 25.228 11.942 56.186 -99.200 -91.000 HIS 51 0.900 2.966 -8.548 43.784 -99.200 -91.000 HIS 67 0.900 5.513 -0.603 49.134 -99.200 -91.000 PHE 93 1.000 8.190 2.797 45.816 -99.200 -91.000 HIS 105 0.900 18.296 10.631 31.241 -99.200 -91.000 PHE 129 1.000 13.232 -2.146 61.476 -99.200 -91.000 HIS 137 0.900 17.129 -10.160 55.909 -99.200 -91.000 HIS 138 0.900 16.209 -1.801 57.914 -99.200 -91.000 PHE 139 1.000 9.485 -4.680 50.525 -99.200 -91.000 PHE 145 1.000 3.048 -3.063 55.936 -99.200 -91.000 TYR 148 0.840 8.679 5.329 67.533 -99.200 -91.000 PHE 175 1.000 -2.346 10.823 43.038 -99.200 -91.000 TYR 179 0.840 -2.096 12.825 38.605 -99.200 -91.000 PHE 197 1.000 -5.422 -4.712 29.385 -99.200 -91.000 PHE 228 1.000 -15.983 -3.927 35.397 -99.200 -91.000 TYR 245 0.840 -16.243 -8.384 26.055 -99.200 -91.000 PHE 263 1.000 -1.097 8.021 25.081 -99.200 -91.000 PHE 265 1.000 -1.528 4.205 30.978 -99.200 -91.000 TYR 285 0.840 -1.825 6.172 16.246 -99.200 -91.000 TRP 313 1.040 5.486 -3.434 26.334 -99.200 -91.000 TRP6 313 1.020 6.171 -5.653 25.940 -99.200 -91.000 PHE 318 1.000 6.953 7.503 43.961 -99.200 -91.000 PHE 321 1.000 5.156 11.869 39.653 -99.200 -91.000 PHE 334 1.000 -4.960 15.381 49.710 -99.200 -91.000 PHE 339 1.000 -2.962 14.602 44.272 -99.200 -91.000 HIS 347 0.900 -12.459 -2.032 53.124 -99.200 -91.000 PHE 351 1.000 1.506 -1.972 62.727 -99.200 -91.000 PHE 358 1.000 -0.637 -7.063 53.688 -99.200 -91.000 PHE 373 1.000 1.902 2.277 61.896 -99.200 -91.000