============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 11 0.840 0.043 -2.472 54.538 -99.200 -91.000 HIS 17 0.900 -3.687 -14.390 55.446 -99.200 -91.000 TYR 22 0.840 -11.903 -5.942 53.157 -99.200 -91.000 TRP 23 1.040 -11.488 -11.268 49.013 -99.200 -91.000 TRP6 23 1.020 -12.148 -12.679 47.237 -99.200 -91.000 TYR 25 0.840 -15.567 -5.877 42.557 -99.200 -91.000 HIS 28 0.900 -21.976 -4.512 49.250 -99.200 -91.000 TRP 32 1.040 -30.746 -0.563 47.080 -99.200 -91.000 TRP6 32 1.020 -29.419 0.539 45.466 -99.200 -91.000 TYR 38 0.840 -29.587 11.859 51.152 -99.200 -91.000 TYR 49 0.840 -15.922 5.887 34.128 -99.200 -91.000 PHE 53 1.000 -26.692 16.705 40.064 -99.200 -91.000 PHE 112 1.000 -19.088 10.019 47.723 -99.200 -91.000 HIS 114 0.900 -19.608 20.841 51.524 -99.200 -91.000 PHE 120 1.000 -5.138 21.161 40.624 -99.200 -91.000 TYR 124 0.840 -2.054 21.527 45.153 -99.200 -91.000 TYR 130 0.840 4.227 23.137 59.538 -99.200 -91.000 PHE 134 1.000 -1.347 19.689 58.625 -99.200 -91.000 TYR 135 0.840 -3.069 21.091 53.863 -99.200 -91.000 TYR 137 0.840 2.644 12.322 58.921 -99.200 -91.000 TYR 145 0.840 -8.024 2.691 57.128 -99.200 -91.000 HIS 147 0.900 -1.213 2.173 49.372 -99.200 -91.000 HIS 153 0.900 -7.643 7.266 44.804 -99.200 -91.000 HIS 159 0.900 -8.959 18.487 38.814 -99.200 -91.000 HIS 165 0.900 -4.616 26.298 53.552 -99.200 -91.000 HIS 167 0.900 -12.948 24.749 59.391 -99.200 -91.000 TRP 175 1.040 -11.791 6.583 47.841 -99.200 -91.000 TRP6 175 1.020 -9.781 5.578 48.517 -99.200 -91.000 PHE 180 1.000 -11.851 -4.950 47.320 -99.200 -91.000 TYR 181 0.840 -1.232 -6.608 45.518 -99.200 -91.000 HIS 182 0.900 -7.768 -10.106 45.468 -99.200 -91.000 TYR 187 0.840 -4.889 -5.566 40.044 -99.200 -91.000 TYR 195 0.840 -0.610 16.410 32.290 -99.200 -91.000 PHE 196 1.000 -1.176 14.109 38.683 -99.200 -91.000 TYR 205 0.840 5.039 -5.743 35.447 -99.200 -91.000 TYR 208 0.840 -1.612 -1.613 38.091 -99.200 -91.000 TYR 210 0.840 -1.305 -2.651 48.509 -99.200 -91.000 TRP 215 1.040 4.953 7.975 38.772 -99.200 -91.000 TRP6 215 1.020 7.253 7.991 38.258 -99.200 -91.000 PHE 226 1.000 11.651 20.193 42.105 -99.200 -91.000 PHE 231 1.000 9.236 17.384 37.877 -99.200 -91.000 PHE 232 1.000 8.006 13.244 35.862 -99.200 -91.000 HIS 233 0.900 2.620 20.374 29.816 -99.200 -91.000 HIS 235 0.900 3.250 17.573 23.511 -99.200 -91.000 TYR 238 0.840 1.596 5.655 22.859 -99.200 -91.000 TYR 254 0.840 15.939 1.597 26.565 -99.200 -91.000 TYR 256 0.840 9.850 -0.473 35.598 -99.200 -91.000 TYR 260 0.840 9.785 -5.509 37.527 -99.200 -91.000 PHE 268 1.000 7.150 4.490 24.596 -99.200 -91.000 HIS 275 0.900 16.258 11.989 26.702 -99.200 -91.000 TRP 280 1.040 15.461 14.422 42.165 -99.200 -91.000 TRP6 280 1.020 13.603 14.404 40.738 -99.200 -91.000 PHE 283 1.000 13.945 18.872 37.030 -99.200 -91.000 HIS 285 0.900 11.884 27.987 39.451 -99.200 -91.000 HIS 290 0.900