============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 33 0.840 78.233 25.203 20.113 -99.200 -91.000 TRP 34 1.040 82.662 31.677 22.784 -99.200 -91.000 TRP6 34 1.020 81.765 32.451 24.830 -99.200 -91.000 TRP 36 1.040 81.593 38.419 16.669 -99.200 -91.000 TRP6 36 1.020 82.308 40.243 17.995 -99.200 -91.000 PHE 40 1.000 71.589 46.407 10.556 -99.200 -91.000 TYR 47 0.840 72.705 34.723 16.468 -99.200 -91.000 TYR 50 0.840 76.243 29.064 15.462 -99.200 -91.000 TYR 53 0.840 82.323 20.448 19.086 -99.200 -91.000 TYR 58 0.840 76.493 26.284 11.112 -99.200 -91.000 TYR 59 0.840 81.274 33.098 8.771 -99.200 -91.000 HIS 60 0.900 71.495 36.930 7.976 -99.200 -91.000 TYR 78 0.840 83.426 35.694 20.557 -99.200 -91.000 TYR 79 0.840 90.439 37.966 18.008 -99.200 -91.000 TYR 93 0.840 78.806 45.912 14.116 -99.200 -91.000 TYR 94 0.840 74.394 44.951 21.508 -99.200 -91.000 TRP 98 1.040 74.316 28.539 19.550 -99.200 -91.000 TRP6 98 1.020 72.932 27.039 20.744 -99.200 -91.000 TRP 103 1.040 73.083 38.893 25.078 -99.200 -91.000 TRP6 103 1.020 72.599 39.559 22.864 -99.200 -91.000 TYR 122 0.840 74.990 78.185 13.184 -99.200 -91.000 TYR 145 0.840 77.927 66.974 16.481 -99.200 -91.000 PHE 146 1.000 82.558 61.548 11.531 -99.200 -91.000 TRP 154 1.040 70.759 74.823 27.733 -99.200 -91.000 TRP6 154 1.020 70.633 76.515 26.085 -99.200 -91.000 HIS 164 0.900 62.238 68.358 27.061 -99.200 -91.000 PHE 166 1.000 64.518 67.694 21.299 -99.200 -91.000 TYR 175 0.840 77.116 61.896 13.718 -99.200 -91.000 TRP 188 1.040 67.061 85.262 27.677 -99.200 -91.000 TRP6 188 1.020 65.935 86.028 25.746 -99.200 -91.000 HIS 199 0.900 83.445 67.352 17.898 -99.200 -91.000