============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 8 0.900 20.350 11.358 17.763 -99.200 -91.000 TYR 16 0.840 29.563 21.630 22.983 -99.200 -91.000 TRP 22 1.040 37.547 21.280 17.679 -99.200 -91.000 TRP6 22 1.020 39.614 20.249 17.166 -99.200 -91.000 HIS 23 0.900 31.000 18.160 21.679 -99.200 -91.000 HIS 30 0.900 32.257 7.435 12.723 -99.200 -91.000 PHE 47 1.000 34.115 27.759 5.303 -99.200 -91.000 PHE 68 1.000 30.982 31.327 1.890 -99.200 -91.000 HIS 69 0.900 36.059 32.982 -3.202 -99.200 -91.000 HIS 70 0.900 38.020 30.303 3.183 -99.200 -91.000 HIS 88 0.900 30.025 7.900 0.945 -99.200 -91.000 PHE 90 1.000 30.654 10.702 4.004 -99.200 -91.000 PHE 92 1.000 29.575 18.079 10.585 -99.200 -91.000 TYR 98 0.840 22.035 16.953 10.343 -99.200 -91.000 TYR 109 0.840 28.456 6.472 7.669 -99.200 -91.000 PHE 117 1.000 25.130 15.976 23.037 -99.200 -91.000 PHE 122 1.000 14.687 18.995 19.984 -99.200 -91.000 PHE 123 1.000 19.251 13.011 12.234 -99.200 -91.000 TYR 126 0.840 17.223 7.745 13.844 -99.200 -91.000 PHE 128 1.000 10.090 -0.838 14.085 -99.200 -91.000 TRP 131 1.040 15.800 5.514 8.333 -99.200 -91.000 TRP6 131 1.020 17.217 6.445 6.671 -99.200 -91.000 HIS 149 0.900 31.272 7.402 22.357 -99.200 -91.000 PHE 151 1.000 31.530 6.272 17.116 -99.200 -91.000 HIS 153 0.900 26.332 2.579 7.287 -99.200 -91.000