============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 26 0.840 17.785 7.740 90.487 -99.200 -91.000 PHE 28 1.000 22.589 8.450 94.843 -99.200 -91.000 TRP 32 1.040 14.189 15.312 98.628 -99.200 -91.000 TRP6 32 1.020 14.990 15.819 100.798 -99.200 -91.000 TRP 35 1.040 16.544 4.478 103.323 -99.200 -91.000 TRP6 35 1.020 17.173 2.248 102.781 -99.200 -91.000 TRP 46 1.040 9.284 9.288 105.228 -99.200 -91.000 TRP6 46 1.020 9.988 10.993 106.704 -99.200 -91.000 TYR 51 0.840 18.355 17.248 96.843 -99.200 -91.000 TYR 55 0.840 26.458 14.441 101.250 -99.200 -91.000 TYR 59 0.840 17.386 10.817 110.570 -99.200 -91.000 PHE 63 1.000 10.595 4.068 112.339 -99.200 -91.000 TYR 79 0.840 25.720 2.345 101.848 -99.200 -91.000 TYR 92 0.840 13.213 -1.998 108.038 -99.200 -91.000 TYR 93 0.840 8.757 -2.027 100.127 -99.200 -91.000 HIS 98 0.900 13.733 15.609 89.568 -99.200 -91.000 TYR 99 0.840 15.145 19.864 96.054 -99.200 -91.000 TYR 101 0.840 11.632 17.155 86.856 -99.200 -91.000 TYR 106 0.840 11.750 2.169 90.511 -99.200 -91.000 TRP 107 1.040 7.125 3.192 96.344 -99.200 -91.000 TRP6 107 1.020 6.707 2.857 98.650 -99.200 -91.000 TYR 126 0.840 12.158 -32.791 99.572 -99.200 -91.000 TYR 142 0.840 11.947 -21.238 103.125 -99.200 -91.000 PHE 143 1.000 14.857 -18.388 110.653 -99.200 -91.000 TRP 151 1.040 6.139 -23.104 88.528 -99.200 -91.000 TRP6 151 1.020 6.584 -25.391 88.943 -99.200 -91.000 HIS 161 0.900 -3.089 -20.264 91.518 -99.200 -91.000 PHE 163 1.000 -0.957 -22.418 97.083 -99.200 -91.000 TYR 172 0.840 9.437 -18.669 108.289 -99.200 -91.000 HIS 187 0.900 17.294 -19.559 102.010 -99.200 -91.000