============================================================================= 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 1 0.900 94.502 -13.894 24.004 -99.200 -91.000 HIS 6 0.900 101.155 -1.088 24.083 -99.200 -91.000 TYR 12 0.840 115.928 -5.659 28.699 -99.200 -91.000 TRP 23 1.040 109.790 -0.766 26.613 -99.200 -91.000 TRP6 23 1.020 108.006 -0.345 28.118 -99.200 -91.000 PHE 25 1.000 115.603 2.043 27.780 -99.200 -91.000 TYR 35 0.840 121.259 -4.565 35.742 -99.200 -91.000 TRP 50 1.040 108.081 7.545 31.295 -99.200 -91.000 TRP6 50 1.020 105.870 7.502 32.174 -99.200 -91.000 HIS 52 0.900 107.606 2.643 20.461 -99.200 -91.000 PHE 56 1.000 95.364 4.667 21.470 -99.200 -91.000 TRP 60 1.040 95.209 -2.080 30.705 -99.200 -91.000 TRP6 60 1.020 96.301 -1.781 32.795 -99.200 -91.000 HIS 63 0.900 101.373 -11.264 34.444 -99.200 -91.000 HIS 65 0.900 112.073 -10.944 37.094 -99.200 -91.000 PHE 66 1.000 109.220 -5.828 42.272 -99.200 -91.000 HIS 69 0.900 119.791 -5.156 43.315 -99.200 -91.000 HIS 77 0.900 115.625 -0.101 53.096 -99.200 -91.000 TRP 84 1.040 104.844 6.506 36.881 -99.200 -91.000 TRP6 84 1.020 103.688 7.955 38.371 -99.200 -91.000 TYR 85 0.840 96.579 3.349 31.078 -99.200 -91.000 PHE 96 1.000 107.413 6.351 45.424 -99.200 -91.000 PHE 102 1.000 99.808 10.549 39.448 -99.200 -91.000 HIS 103 0.900 95.989 15.360 33.900 -99.200 -91.000 PHE 108 1.000 102.396 6.417 43.989 -99.200 -91.000 TYR 112 0.840 112.900 6.921 54.718 -99.200 -91.000 PHE 122 1.000 106.243 2.581 54.519 -99.200 -91.000 TYR 124 0.840 100.692 0.333 52.519 -99.200 -91.000 TYR 136 0.840 103.428 9.987 46.871 -99.200 -91.000 HIS 138 0.900 108.961 11.328 49.005 -99.200 -91.000 TRP 144 1.040 97.965 13.985 53.239 -99.200 -91.000 TRP6 144 1.020 97.461 13.660 55.532 -99.200 -91.000 PHE 154 1.000 108.976 -3.731 47.297 -99.200 -91.000 HIS 159 0.900 112.259 -15.579 46.825 -99.200 -91.000 PHE 162 1.000 108.406 -12.976 38.626 -99.200 -91.000 TYR 167 0.840 91.039 0.009 34.450 -99.200 -91.000 TRP 184 1.040 99.883 -13.647 39.123 -99.200 -91.000 TRP6 184 1.020 101.739 -12.175 39.197 -99.200 -91.000 TYR 199 0.840 95.579 8.644 30.565 -99.200 -91.000 TYR 200 0.840 102.489 8.000 25.889 -99.200 -91.000 PHE 201 1.000 100.289 -0.105 30.582 -99.200 -91.000 HIS 214 0.900 114.825 2.180 43.812 -99.200 -91.000 PHE 222 1.000 100.801 -11.683 29.456 -99.200 -91.000 HIS 228 0.900 84.523 -3.700 27.250 -99.200 -91.000 TRP 232 1.040 85.496 2.752 25.734 -99.200 -91.000 TRP6 232 1.020 85.578 1.473 27.732 -99.200 -91.000 PHE 241 1.000 85.902 6.684 46.105 -99.200 -91.000