============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 3 0.900 93.793 -13.689 23.498 -99.200 -91.000 HIS 8 0.900 100.007 -0.785 23.546 -99.200 -91.000 TYR 14 0.840 114.994 -4.983 27.964 -99.200 -91.000 TRP 25 1.040 108.615 -0.189 26.033 -99.200 -91.000 TRP6 25 1.020 107.028 0.177 27.764 -99.200 -91.000 PHE 27 1.000 114.507 2.221 26.806 -99.200 -91.000 TYR 37 0.840 120.064 -4.995 35.198 -99.200 -91.000 TRP 52 1.040 107.111 7.935 30.659 -99.200 -91.000 TRP6 52 1.020 104.905 7.755 31.526 -99.200 -91.000 HIS 54 0.900 108.690 4.784 20.751 -99.200 -91.000 PHE 58 1.000 94.013 4.757 20.949 -99.200 -91.000 TRP 62 1.040 94.277 -2.033 30.050 -99.200 -91.000 TRP6 62 1.020 95.447 -1.713 32.092 -99.200 -91.000 HIS 65 0.900 100.590 -11.188 33.693 -99.200 -91.000 HIS 67 0.900 111.268 -10.870 36.253 -99.200 -91.000 PHE 68 1.000 108.326 -5.811 41.587 -99.200 -91.000 HIS 71 0.900 118.846 -5.275 42.812 -99.200 -91.000 HIS 79 0.900 114.636 -0.052 52.438 -99.200 -91.000 TRP 86 1.040 103.957 6.560 36.290 -99.200 -91.000 TRP6 86 1.020 102.810 7.987 37.804 -99.200 -91.000 TYR 87 0.840 95.652 3.389 30.617 -99.200 -91.000 PHE 98 1.000 106.718 6.419 44.722 -99.200 -91.000 PHE 104 1.000 98.866 10.610 38.967 -99.200 -91.000 HIS 105 0.900 95.386 15.412 33.606 -99.200 -91.000 PHE 110 1.000 101.559 6.453 43.512 -99.200 -91.000 TYR 114 0.840 112.094 6.685 54.276 -99.200 -91.000 PHE 124 1.000 105.099 2.627 54.019 -99.200 -91.000 TYR 126 0.840 99.759 0.418 51.897 -99.200 -91.000 TYR 138 0.840 102.716 9.859 46.444 -99.200 -91.000 HIS 140 0.900 108.186 11.129 48.520 -99.200 -91.000 TRP 146 1.040 97.196 13.877 52.914 -99.200 -91.000 TRP6 146 1.020 96.704 13.648 55.232 -99.200 -91.000 PHE 156 1.000 107.929 -3.755 46.742 -99.200 -91.000 HIS 161 0.900 111.497 -15.689 46.190 -99.200 -91.000 PHE 164 1.000 107.595 -12.924 37.855 -99.200 -91.000 TYR 169 0.840 90.155 -0.042 33.904 -99.200 -91.000 TRP 186 1.040 99.122 -13.755 38.588 -99.200 -91.000 TRP6 186 1.020 100.960 -12.268 38.579 -99.200 -91.000 TYR 201 0.840 94.544 8.792 30.070 -99.200 -91.000 TYR 202 0.840 101.054 8.157 25.207 -99.200 -91.000 PHE 203 1.000 99.390 0.051 29.793 -99.200 -91.000 HIS 216 0.900 113.943 2.125 43.224 -99.200 -91.000 PHE 224 1.000 100.090 -11.532 28.713 -99.200 -91.000 HIS 230 0.900 83.731 -3.724 26.631 -99.200 -91.000 TRP 239 1.040 84.449 2.774 25.362 -99.200 -91.000 TRP6 239 1.020 84.524 1.438 27.322 -99.200 -91.000 PHE 248 1.000 85.136 6.629 45.683 -99.200 -91.000