============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 26 1.000 68.226 92.523 93.845 -99.200 -91.000 TYR 32 0.840 67.394 80.492 93.604 -99.200 -91.000 HIS 34 0.900 72.895 79.778 99.211 -99.200 -91.000 TRP 35 1.040 70.394 83.411 106.801 -99.200 -91.000 TRP6 35 1.020 70.873 85.457 107.882 -99.200 -91.000 TRP 46 1.040 75.608 76.775 102.626 -99.200 -91.000 TRP6 46 1.020 74.329 74.794 102.804 -99.200 -91.000 TYR 56 0.840 58.980 72.299 101.217 -99.200 -91.000 TYR 59 0.840 68.066 74.569 108.147 -99.200 -91.000 PHE 63 1.000 76.437 75.632 111.362 -99.200 -91.000 TYR 79 0.840 62.492 87.722 110.048 -99.200 -91.000 HIS 81 0.900 65.129 81.001 116.999 -99.200 -91.000 TYR 92 0.840 76.022 83.789 113.231 -99.200 -91.000 TYR 93 0.840 80.136 88.044 106.431 -99.200 -91.000 TYR 97 0.840 73.866 83.601 91.717 -99.200 -91.000 TYR 98 0.840 67.402 89.374 90.207 -99.200 -91.000 TYR 100 0.840 64.709 85.922 86.838 -99.200 -91.000 TYR 101 0.840 69.746 92.311 87.195 -99.200 -91.000 TYR 105 0.840 73.203 91.606 93.580 -99.200 -91.000 TRP 106 1.040 78.374 87.496 99.360 -99.200 -91.000 TRP6 106 1.020 78.711 85.891 101.065 -99.200 -91.000 TYR 125 0.840 92.418 107.096 130.553 -99.200 -91.000 TYR 143 0.840 85.834 99.342 123.582 -99.200 -91.000 PHE 144 1.000 81.410 92.807 126.507 -99.200 -91.000 TRP 152 1.040 93.412 110.408 115.327 -99.200 -91.000 TRP6 152 1.020 94.408 111.122 117.349 -99.200 -91.000 HIS 162 0.900 99.728 103.267 110.888 -99.200 -91.000 PHE 164 1.000 98.153 100.260 116.222 -99.200 -91.000 TYR 173 0.840 86.005 93.792 122.976 -99.200 -91.000 TRP 186 1.040 100.196 118.737 118.902 -99.200 -91.000 TRP6 186 1.020 101.853 118.130 120.475 -99.200 -91.000 HIS 197 0.900 80.585 101.505 124.002 -99.200 -91.000