============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 24 0.840 -14.462 21.344 51.860 -99.200 -91.000 TYR 27 0.840 -15.005 17.421 47.776 -99.200 -91.000 TYR 28 0.840 -15.321 16.961 55.537 -99.200 -91.000 PHE 29 1.000 -20.347 15.953 57.015 -99.200 -91.000 HIS 36 0.900 -23.417 7.940 58.648 -99.200 -91.000 PHE 44 1.000 -17.393 20.932 57.249 -99.200 -91.000 TYR 57 0.840 -7.800 28.811 44.115 -99.200 -91.000 TYR 64 0.840 -3.355 10.995 46.823 -99.200 -91.000 PHE 74 1.000 -11.214 11.706 62.863 -99.200 -91.000 TRP 105 1.040 15.654 40.185 42.212 -99.200 -91.000 TRP6 105 1.020 17.270 38.471 42.248 -99.200 -91.000 HIS 114 0.900 22.426 33.538 52.292 -99.200 -91.000 PHE 117 1.000 10.058 24.478 50.166 -99.200 -91.000 TYR 130 0.840 18.563 17.299 46.195 -99.200 -91.000 TYR 145 0.840 19.766 29.441 56.090 -99.200 -91.000 TYR 148 0.840 10.793 19.275 55.842 -99.200 -91.000 PHE 185 1.000 -10.219 14.716 53.610 -99.200 -91.000 HIS 186 0.900 -7.116 13.839 60.176 -99.200 -91.000 HIS 192 0.900 -10.198 13.313 67.577 -99.200 -91.000 PHE 202 1.000 -5.713 25.104 59.055 -99.200 -91.000 HIS 216 0.900 23.168 46.637 43.450 -99.200 -91.000 PHE 224 1.000 5.041 46.466 52.039 -99.200 -91.000 HIS 244 0.900 -0.244 15.802 69.380 -99.200 -91.000 PHE 252 1.000 -6.478 22.370 63.697 -99.200 -91.000 HIS 255 0.900 -9.339 26.335 74.788 -99.200 -91.000 TRP 282 1.040 -2.903 50.447 68.814 -99.200 -91.000 TRP6 282 1.020 -0.637 50.735 69.417 -99.200 -91.000 PHE 286 1.000 1.979 48.788 55.946 -99.200 -91.000 TRP 287 1.040 -2.613 47.844 62.070 -99.200 -91.000 TRP6 287 1.020 -1.366 47.272 63.984 -99.200 -91.000 HIS 290 0.900 -1.998 32.888 59.733 -99.200 -91.000 HIS 316 0.900 -8.995 40.462 48.338 -99.200 -91.000 TYR 321 0.840 -5.717 33.478 47.401 -99.200 -91.000 PHE 331 1.000 -0.907 33.253 48.595 -99.200 -91.000 PHE 358 1.000 0.440 41.674 65.618 -99.200 -91.000 PHE 360 1.000 -2.103 36.296 65.583 -99.200 -91.000