============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 2 0.900 -1.272 7.136 -23.333 -99.200 -91.000 HIS 7 0.900 8.606 10.186 -17.007 -99.200 -91.000 PHE 16 1.000 14.253 20.671 -0.327 -99.200 -91.000 TYR 17 0.840 7.471 26.462 5.921 -99.200 -91.000 TYR 48 0.840 8.373 22.113 14.028 -99.200 -91.000 TRP 49 1.040 15.654 18.452 14.130 -99.200 -91.000 TRP6 49 1.020 17.021 16.620 14.723 -99.200 -91.000 PHE 54 1.000 6.733 19.517 19.440 -99.200 -91.000 TYR 66 0.840 7.128 23.141 9.780 -99.200 -91.000 TYR 82 0.840 16.787 12.874 18.288 -99.200 -91.000 HIS 86 0.900 14.662 2.331 26.076 -99.200 -91.000 TYR 92 0.840 27.223 14.566 25.913 -99.200 -91.000 PHE 97 1.000 6.409 10.338 22.603 -99.200 -91.000 TYR 103 0.840 8.450 6.098 17.812 -99.200 -91.000 TRP 106 1.040 5.080 11.732 18.812 -99.200 -91.000 TRP6 106 1.020 7.097 11.556 17.593 -99.200 -91.000 PHE 143 1.000 17.095 -3.322 14.618 -99.200 -91.000 TYR 148 0.840 2.818 1.578 14.460 -99.200 -91.000 TYR 162 0.840 14.131 10.802 1.657 -99.200 -91.000 HIS 167 0.900 28.811 8.738 10.958 -99.200 -91.000 TRP 170 1.040 27.146 4.764 14.357 -99.200 -91.000 TRP6 170 1.020 25.760 6.561 14.977 -99.200 -91.000 PHE 191 1.000 20.302 5.208 2.140 -99.200 -91.000 PHE 198 1.000 30.099 18.158 12.860 -99.200 -91.000 TYR 199 0.840 32.188 11.410 9.361 -99.200 -91.000 TYR 207 0.840 27.620 4.408 4.892 -99.200 -91.000 HIS 219 0.900 15.883 6.822 -5.578 -99.200 -91.000 TYR 220 0.840 22.325 8.666 -1.289 -99.200 -91.000 TRP 239 1.040 30.436 12.387 18.543 -99.200 -91.000 TRP6 239 1.020 28.823 12.981 20.121 -99.200 -91.000 HIS 259 0.900 20.646 4.944 -7.143 -99.200 -91.000 TYR 263 0.840 24.344 17.518 -2.231 -99.200 -91.000 TRP 265 1.040 22.122 23.283 5.175 -99.200 -91.000 TRP6 265 1.020 22.568 25.520 5.776 -99.200 -91.000 PHE 286 1.000 20.288 29.748 16.880 -99.200 -91.000 TYR 290 0.840 28.167 26.264 20.000 -99.200 -91.000 HIS 296 0.900 32.107 34.945 11.285 -99.200 -91.000