============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 10 0.900 -4.470 32.204 85.696 -99.200 -91.000 TYR 14 0.840 -3.055 20.242 83.651 -99.200 -91.000 HIS 24 0.900 -5.359 27.233 71.001 -99.200 -91.000 TRP 35 1.040 12.029 19.096 77.316 -99.200 -91.000 TRP6 35 1.020 12.526 18.631 75.036 -99.200 -91.000 HIS 41 0.900 -3.379 16.678 64.523 -99.200 -91.000 HIS 57 0.900 -9.764 31.213 82.433 -99.200 -91.000 TYR 69 0.840 8.274 30.731 78.564 -99.200 -91.000 HIS 77 0.900 6.649 7.905 68.236 -99.200 -91.000 TYR 80 0.840 2.049 12.397 62.520 -99.200 -91.000 HIS 87 0.900 3.333 5.122 65.924 -99.200 -91.000 TRP 109 1.040 5.139 12.193 81.704 -99.200 -91.000 TRP6 109 1.020 6.208 10.198 81.014 -99.200 -91.000 TRP 127 1.040 -7.740 28.826 75.648 -99.200 -91.000 TRP6 127 1.020 -5.786 27.920 76.647 -99.200 -91.000 HIS 132 0.900 -22.685 22.410 62.656 -99.200 -91.000 HIS 142 0.900 -13.753 21.796 83.291 -99.200 -91.000 HIS 157 0.900 -9.078 1.253 64.584 -99.200 -91.000 HIS 158 0.900 -17.066 -1.900 59.555 -99.200 -91.000 TRP 197 1.040 -5.690 13.904 63.017 -99.200 -91.000 TRP6 197 1.020 -5.333 15.644 61.456 -99.200 -91.000 TYR 211 0.840 -9.629 12.126 73.804 -99.200 -91.000 TYR 217 0.840 3.353 6.423 71.607 -99.200 -91.000 TRP 220 1.040 9.707 9.544 71.162 -99.200 -91.000 TRP6 220 1.020 8.067 11.266 71.092 -99.200 -91.000