============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 9 0.900 115.482 90.776 90.513 -99.200 -91.000 TYR 20 0.840 128.217 72.476 103.609 -99.200 -91.000 TYR 28 0.840 131.759 75.068 98.433 -99.200 -91.000 HIS 29 0.900 135.030 81.338 103.723 -99.200 -91.000 TYR 31 0.840 126.633 78.666 99.832 -99.200 -91.000 TRP 47 1.040 108.798 86.504 92.762 -99.200 -91.000 TRP6 47 1.020 110.461 88.138 92.310 -99.200 -91.000 PHE 53 1.000 127.594 73.981 98.459 -99.200 -91.000 TYR 57 0.840 126.912 69.483 93.930 -99.200 -91.000 HIS 61 0.900 130.839 80.205 85.927 -99.200 -91.000 HIS 84 0.900 104.015 70.911 82.223 -99.200 -91.000 TRP 88 1.040 112.816 70.412 79.199 -99.200 -91.000 TRP6 88 1.020 114.007 71.117 81.141 -99.200 -91.000 HIS 98 0.900 124.970 76.115 79.370 -99.200 -91.000 TRP 110 1.040 106.216 73.838 86.619 -99.200 -91.000 TRP6 110 1.020 104.385 72.374 86.851 -99.200 -91.000 HIS 154 0.900 122.381 69.445 113.087 -99.200 -91.000 PHE 157 1.000 117.075 70.370 110.416 -99.200 -91.000 HIS 160 0.900 121.079 64.033 111.822 -99.200 -91.000 TRP 192 1.040 117.819 57.299 105.335 -99.200 -91.000 TRP6 192 1.020 118.521 58.984 103.830 -99.200 -91.000 TYR 193 0.840 122.385 58.942 111.503 -99.200 -91.000 HIS 205 0.900 138.984 57.255 100.913 -99.200 -91.000 TRP 228 1.040 127.515 55.326 84.174 -99.200 -91.000 TRP6 228 1.020 125.687 56.548 85.052 -99.200 -91.000 PHE 305 1.000 112.045 75.019 103.136 -99.200 -91.000 HIS 310 0.900 104.254 74.536 97.712 -99.200 -91.000 HIS 318 0.900 107.509 52.212 99.538 -99.200 -91.000 PHE 370 1.000 117.022 89.309 78.602 -99.200 -91.000