============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 3 0.900 61.639 47.509 5.825 -99.200 -91.000 TYR 7 0.840 47.308 52.926 2.075 -99.200 -91.000 PHE 8 1.000 47.053 44.709 -1.630 -99.200 -91.000 TYR 22 0.840 36.246 52.556 -1.515 -99.200 -91.000 TYR 27 0.840 47.926 43.974 3.781 -99.200 -91.000 PHE 33 1.000 49.561 50.988 7.631 -99.200 -91.000 PHE 36 1.000 35.824 53.692 4.776 -99.200 -91.000 TYR 45 0.840 41.782 54.184 5.941 -99.200 -91.000 TRP 51 1.040 52.962 48.950 14.219 -99.200 -91.000 TRP6 51 1.020 52.743 50.302 12.293 -99.200 -91.000 TYR 59 0.840 47.079 58.140 10.288 -99.200 -91.000 TRP 60 1.040 43.445 57.076 14.101 -99.200 -91.000 TRP6 60 1.020 44.046 55.202 12.784 -99.200 -91.000 PHE 74 1.000 38.138 53.653 -6.788 -99.200 -91.000 TYR 84 0.840 34.856 54.634 -20.484 -99.200 -91.000 TYR 85 0.840 35.013 47.491 -20.569 -99.200 -91.000 HIS 93 0.900 29.635 44.378 -14.465 -99.200 -91.000 TYR 113 0.840 53.900 49.063 -6.386 -99.200 -91.000 TYR 116 0.840 43.473 52.813 -11.317 -99.200 -91.000 TYR 118 0.840 34.451 46.700 -15.385 -99.200 -91.000 TYR 122 0.840 39.939 50.511 -17.470 -99.200 -91.000 TRP 132 1.040 48.376 57.328 -16.504 -99.200 -91.000 TRP6 132 1.020 48.156 56.495 -14.303 -99.200 -91.000 HIS 144 0.900 43.763 59.023 -25.977 -99.200 -91.000 TRP 146 1.040 42.862 58.998 -15.552 -99.200 -91.000 TRP6 146 1.020 43.535 56.932 -14.609 -99.200 -91.000 TYR 154 0.840 47.609 67.208 -9.858 -99.200 -91.000 TYR 155 0.840 50.193 56.937 -7.583 -99.200 -91.000 TYR 158 0.840 50.515 58.537 -2.155 -99.200 -91.000 TRP 166 1.040 52.472 60.529 6.104 -99.200 -91.000 TRP6 166 1.020 51.602 60.608 8.302 -99.200 -91.000 TYR 170 0.840 52.488 54.775 8.363 -99.200 -91.000 HIS 187 0.900 55.935 20.428 12.203 -99.200 -91.000 HIS 190 0.900 55.665 7.985 7.042 -99.200 -91.000 HIS 191 0.900 50.194 12.464 6.850 -99.200 -91.000 TRP 203 1.040 53.459 20.588 8.480 -99.200 -91.000 TRP6 203 1.020 51.569 21.940 8.043 -99.200 -91.000 PHE 207 1.000 57.611 31.443 7.900 -99.200 -91.000 TYR 208 0.840 57.148 40.197 10.213 -99.200 -91.000 TRP 216 1.040 60.481 17.872 0.967 -99.200 -91.000 TRP6 216 1.020 61.150 16.432 2.725 -99.200 -91.000 PHE 240 1.000 53.248 36.480 7.136 -99.200 -91.000 TRP 243 1.040 51.239 22.416 3.666 -99.200 -91.000 TRP6 243 1.020 51.196 21.025 1.749 -99.200 -91.000 TYR 255 0.840 68.725 6.031 1.587 -99.200 -91.000 TYR 256 0.840 63.527 10.877 -1.006 -99.200 -91.000 HIS 259 0.900 68.619 20.754 2.663 -99.200 -91.000 TYR 261 0.840 68.050 27.011 1.786 -99.200 -91.000 HIS 262 0.900 62.628 33.684 8.071 -99.200 -91.000 TRP 273 1.040 59.418 9.425 9.332 -99.200 -91.000 TRP6 273 1.020 57.773 10.450 10.688 -99.200 -91.000