============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 2 0.900 10.428 -4.356 19.307 -99.200 -91.000 PHE 3 1.000 7.262 1.302 15.071 -99.200 -91.000 PHE 7 1.000 17.570 16.822 23.388 -99.200 -91.000 PHE 10 1.000 26.429 14.254 22.122 -99.200 -91.000 TYR 12 0.840 31.261 17.518 21.460 -99.200 -91.000 PHE 13 1.000 31.848 21.684 28.772 -99.200 -91.000 TYR 22 0.840 23.527 23.526 23.984 -99.200 -91.000 TYR 26 0.840 15.905 17.848 18.686 -99.200 -91.000 TYR 28 0.840 11.603 6.992 13.549 -99.200 -91.000 TYR 33 0.840 14.453 13.814 13.666 -99.200 -91.000 PHE 36 1.000 21.419 25.861 18.899 -99.200 -91.000 TYR 43 0.840 17.130 24.008 16.595 -99.200 -91.000 TYR 56 0.840 7.277 24.221 15.628 -99.200 -91.000 TYR 57 0.840 12.505 21.558 16.860 -99.200 -91.000 TYR 61 0.840 11.261 25.203 20.244 -99.200 -91.000 TYR 75 0.840 24.499 27.480 36.868 -99.200 -91.000 TYR 77 0.840 34.329 22.928 32.524 -99.200 -91.000 HIS 105 0.900 62.457 -22.803 31.199 -99.200 -91.000 HIS 106 0.900 59.971 -14.358 26.394 -99.200 -91.000 PHE 116 1.000 44.139 4.527 35.450 -99.200 -91.000 TYR 117 0.840 37.346 10.318 36.750 -99.200 -91.000 TRP 125 1.040 56.604 -3.151 32.077 -99.200 -91.000 TRP6 125 1.020 56.949 -4.462 34.014 -99.200 -91.000 PHE 126 1.000 62.144 3.192 34.026 -99.200 -91.000 TRP 147 1.040 31.374 8.164 37.379 -99.200 -91.000 TRP6 147 1.020 31.708 10.418 36.730 -99.200 -91.000 PHE 149 1.000 38.946 6.351 32.588 -99.200 -91.000 TYR 165 0.840 63.134 -7.668 34.474 -99.200 -91.000 HIS 168 0.900 58.360 6.112 37.184 -99.200 -91.000 HIS 171 0.900 45.797 9.260 37.950 -99.200 -91.000 TRP 182 1.040 58.494 -10.203 39.460 -99.200 -91.000 TRP6 182 1.020 60.223 -11.241 38.237 -99.200 -91.000