============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 27 1.000 92.544 -18.174 72.971 -99.200 -91.000 PHE 29 1.000 91.005 -12.123 71.493 -99.200 -91.000 TYR 32 0.840 92.547 -19.681 67.848 -99.200 -91.000 TRP 36 1.040 80.426 -11.672 72.988 -99.200 -91.000 TRP6 36 1.020 80.784 -11.835 75.356 -99.200 -91.000 TRP 47 1.040 76.582 -16.479 66.329 -99.200 -91.000 TRP6 47 1.020 75.575 -15.170 64.570 -99.200 -91.000 TYR 50 0.840 82.720 -14.806 62.724 -99.200 -91.000 TYR 57 0.840 85.128 -10.805 56.354 -99.200 -91.000 TYR 59 0.840 79.363 -12.357 58.969 -99.200 -91.000 TYR 60 0.840 76.312 -7.483 65.259 -99.200 -91.000 PHE 68 1.000 72.489 -8.051 72.195 -99.200 -91.000 TYR 80 0.840 86.335 -4.865 74.989 -99.200 -91.000 TYR 93 0.840 73.717 -12.380 76.756 -99.200 -91.000 TYR 94 0.840 77.550 -20.242 78.255 -99.200 -91.000 HIS 98 0.900 83.151 -19.252 65.621 -99.200 -91.000 TYR 100 0.840 95.023 -21.914 63.145 -99.200 -91.000 TYR 101 0.840 89.615 -20.062 57.191 -99.200 -91.000 HIS 104 0.900 89.514 -23.598 55.545 -99.200 -91.000 TYR 105 0.840 82.806 -26.470 56.133 -99.200 -91.000 TYR 109 0.840 89.535 -24.951 74.554 -99.200 -91.000 TRP 110 1.040 81.381 -23.455 73.674 -99.200 -91.000 TRP6 110 1.020 79.171 -22.694 73.282 -99.200 -91.000 TYR 129 0.840 63.981 -13.888 109.394 -99.200 -91.000 TYR 152 0.840 67.990 -13.821 97.459 -99.200 -91.000 PHE 153 1.000 64.716 -9.493 90.623 -99.200 -91.000 TRP 161 1.040 77.660 -21.326 106.751 -99.200 -91.000 TRP6 161 1.020 76.074 -21.039 108.523 -99.200 -91.000 HIS 171 0.900 76.499 -30.027 102.002 -99.200 -91.000 PHE 173 1.000 70.761 -27.819 101.175 -99.200 -91.000 TYR 182 0.840 65.325 -15.436 92.328 -99.200 -91.000 TRP 195 1.040 76.338 -23.535 117.688 -99.200 -91.000 TRP6 195 1.020 74.259 -24.437 118.378 -99.200 -91.000 HIS 206 0.900 70.608 -8.569 97.012 -99.200 -91.000