============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 5 0.900 95.831 44.200 29.450 -99.200 -91.000 PHE 8 1.000 95.441 46.317 18.882 -99.200 -91.000 HIS 19 0.900 90.051 40.304 21.580 -99.200 -91.000 PHE 36 1.000 90.437 48.201 11.350 -99.200 -91.000 HIS 53 0.900 72.409 53.744 24.924 -99.200 -91.000 TRP 69 1.040 85.774 51.381 1.967 -99.200 -91.000 TRP6 69 1.020 85.787 53.477 3.036 -99.200 -91.000 TRP 93 1.040 68.883 40.305 22.623 -99.200 -91.000 TRP6 93 1.020 68.740 38.249 23.793 -99.200 -91.000 PHE 108 1.000 83.555 56.835 27.984 -99.200 -91.000 HIS 139 0.900 73.312 58.325 20.755 -99.200 -91.000 PHE 141 1.000 66.682 60.466 18.522 -99.200 -91.000 TRP 145 1.040 62.537 58.049 20.304 -99.200 -91.000 TRP6 145 1.020 61.376 60.088 20.040 -99.200 -91.000 HIS 154 0.900 74.353 70.620 23.886 -99.200 -91.000 PHE 171 1.000 80.530 62.655 9.262 -99.200 -91.000 TRP 179 1.040 67.436 69.047 20.914 -99.200 -91.000 TRP6 179 1.020 66.844 66.761 20.799 -99.200 -91.000 HIS 181 0.900 71.591 66.615 23.364 -99.200 -91.000 PHE 187 1.000 78.690 67.752 24.115 -99.200 -91.000 HIS 192 0.900 81.580 71.515 27.342 -99.200 -91.000 PHE 198 1.000 80.967 62.592 21.274 -99.200 -91.000 PHE 203 1.000 73.736 54.468 12.737 -99.200 -91.000 TYR 210 0.840 72.404 56.109 9.412 -99.200 -91.000 PHE 248 1.000 53.080 59.220 19.588 -99.200 -91.000 HIS 267 0.900 44.553 55.614 20.055 -99.200 -91.000 PHE 287 1.000 66.431 64.501 14.236 -99.200 -91.000 TYR 293 0.840 50.803 49.502 26.164 -99.200 -91.000