============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 3 0.900 24.183 53.339 17.581 -99.200 -91.000 HIS 5 0.900 19.898 59.362 23.531 -99.200 -91.000 HIS 19 0.900 19.853 83.623 17.430 -99.200 -91.000 TRP 28 1.040 13.815 78.109 7.479 -99.200 -91.000 TRP6 28 1.020 15.220 76.366 6.744 -99.200 -91.000 HIS 43 0.900 3.722 80.592 22.880 -99.200 -91.000 PHE 47 1.000 8.452 66.155 17.005 -99.200 -91.000 PHE 50 1.000 18.685 66.903 22.235 -99.200 -91.000 PHE 58 1.000 14.256 72.924 16.389 -99.200 -91.000 TYR 65 0.840 -0.267 70.571 19.885 -99.200 -91.000 PHE 68 1.000 -2.202 74.163 9.668 -99.200 -91.000 TYR 70 0.840 4.755 75.916 8.415 -99.200 -91.000 PHE 75 1.000 19.022 72.763 13.054 -99.200 -91.000 HIS 80 0.900 26.714 65.494 14.421 -99.200 -91.000 TYR 85 0.840 22.290 61.274 13.679 -99.200 -91.000 HIS 94 0.900 3.824 64.185 19.817 -99.200 -91.000 PHE 103 1.000 2.388 67.573 10.024 -99.200 -91.000 HIS 111 0.900 9.678 70.503 -4.076 -99.200 -91.000 TYR 114 0.840 10.237 67.352 4.073 -99.200 -91.000 TYR 117 0.840 9.487 61.196 5.935 -99.200 -91.000 PHE 119 1.000 4.157 66.261 4.781 -99.200 -91.000 PHE 124 1.000 -9.064 70.489 -3.052 -99.200 -91.000 TYR 131 0.840 7.017 83.298 2.427 -99.200 -91.000 TYR 136 0.840 12.737 86.755 10.783 -99.200 -91.000