============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 24.114 25.708 39.576 -99.200 -91.000 TRP6 14 1.020 26.042 24.313 39.534 -99.200 -91.000 TRP 35 1.040 24.188 34.413 52.669 -99.200 -91.000 TRP6 35 1.020 22.879 36.343 53.124 -99.200 -91.000 HIS 41 0.900 12.589 41.078 36.940 -99.200 -91.000 PHE 43 1.000 12.354 39.068 45.558 -99.200 -91.000 TRP 49 1.040 7.762 42.722 51.486 -99.200 -91.000 TRP6 49 1.020 9.485 42.533 49.876 -99.200 -91.000 HIS 59 0.900 14.128 17.208 36.808 -99.200 -91.000 HIS 64 0.900 8.303 15.458 48.465 -99.200 -91.000 TYR 82 0.840 14.794 47.123 41.171 -99.200 -91.000 HIS 89 0.900 22.582 49.758 39.698 -99.200 -91.000 HIS 97 0.900 13.423 28.557 57.738 -99.200 -91.000 HIS 105 0.900 19.495 14.459 43.597 -99.200 -91.000 PHE 116 1.000 37.855 32.952 37.480 -99.200 -91.000 PHE 123 1.000 37.101 39.292 27.955 -99.200 -91.000 PHE 126 1.000 28.124 29.171 22.525 -99.200 -91.000 TRP 132 1.040 11.136 24.243 37.204 -99.200 -91.000 TRP6 132 1.020 12.738 24.856 38.848 -99.200 -91.000 TYR 169 0.840 26.111 49.290 37.406 -99.200 -91.000 PHE 171 1.000 25.814 38.725 30.939 -99.200 -91.000 TYR 175 0.840 21.780 31.154 20.074 -99.200 -91.000 HIS 191 0.900 25.266 34.005 31.546 -99.200 -91.000 HIS 194 0.900 33.479 23.919 32.594 -99.200 -91.000 TYR 195 0.840 39.011 29.635 33.286 -99.200 -91.000 TRP 199 1.040 29.584 24.066 35.443 -99.200 -91.000 TRP6 199 1.020 28.713 24.883 33.390 -99.200 -91.000 TYR 200 0.840 34.179 29.776 38.806 -99.200 -91.000 TRP 207 1.040 16.574 44.291 30.781 -99.200 -91.000 TRP6 207 1.020 16.510 45.213 28.592 -99.200 -91.000 HIS 216 0.900 14.342 43.199 20.164 -99.200 -91.000 PHE 217 1.000 21.602 39.075 20.236 -99.200 -91.000 TYR 220 0.840 20.722 36.349 30.328 -99.200 -91.000 TYR 226 0.840 25.091 44.644 40.881 -99.200 -91.000 TRP 229 1.040 25.224 45.800 47.449 -99.200 -91.000 TRP6 229 1.020 23.500 44.244 46.968 -99.200 -91.000 PHE 248 1.000 26.357 48.766 43.189 -99.200 -91.000