============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 7 0.900 83.597 96.537 85.682 -99.200 -91.000 HIS 21 0.900 107.494 112.262 95.326 -99.200 -91.000 TRP 25 1.040 92.608 120.286 95.004 -99.200 -91.000 TRP6 25 1.020 92.081 122.546 94.538 -99.200 -91.000 TRP 38 1.040 95.103 110.216 94.341 -99.200 -91.000 TRP6 38 1.020 95.595 111.115 92.203 -99.200 -91.000 PHE 50 1.000 87.913 121.107 97.291 -99.200 -91.000 PHE 83 1.000 87.482 124.376 93.902 -99.200 -91.000 PHE 94 1.000 86.715 111.765 88.356 -99.200 -91.000 PHE 104 1.000 87.170 123.784 83.532 -99.200 -91.000 TRP 108 1.040 91.615 125.990 83.471 -99.200 -91.000 TRP6 108 1.020 92.495 123.911 82.807 -99.200 -91.000 TRP 130 1.040 82.124 116.210 72.682 -99.200 -91.000 TRP6 130 1.020 84.042 115.298 71.616 -99.200 -91.000 PHE 136 1.000 90.688 125.229 79.044 -99.200 -91.000 PHE 143 1.000 85.456 105.022 79.213 -99.200 -91.000 HIS 147 0.900 77.266 95.572 84.448 -99.200 -91.000 HIS 149 0.900 67.435 92.671 83.735 -99.200 -91.000 PHE 154 1.000 64.516 82.595 76.556 -99.200 -91.000 HIS 163 0.900 79.970 110.684 76.249 -99.200 -91.000 TRP 165 1.040 88.739 116.917 78.002 -99.200 -91.000 TRP6 165 1.020 88.903 119.014 79.055 -99.200 -91.000