============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 7 0.840 43.978 20.385 28.580 -99.200 -91.000 TYR 22 0.840 32.144 12.037 36.603 -99.200 -91.000 TYR 27 0.840 35.155 -1.585 41.590 -99.200 -91.000 TYR 29 0.840 26.212 5.572 41.593 -99.200 -91.000 PHE 34 1.000 25.706 -7.176 39.251 -99.200 -91.000 TYR 35 0.840 22.913 -4.523 49.708 -99.200 -91.000 PHE 36 1.000 19.703 -1.712 47.324 -99.200 -91.000 HIS 48 0.900 17.366 -1.236 34.806 -99.200 -91.000 PHE 49 1.000 18.500 5.767 41.167 -99.200 -91.000 PHE 50 1.000 21.641 2.848 44.032 -99.200 -91.000 PHE 77 1.000 43.254 5.716 31.825 -99.200 -91.000 TRP 88 1.040 26.596 -0.931 48.719 -99.200 -91.000 TRP6 88 1.020 27.989 0.961 49.001 -99.200 -91.000 HIS 113 0.900 33.167 26.754 35.321 -99.200 -91.000 HIS 123 0.900 37.124 22.657 24.559 -99.200 -91.000 PHE 127 1.000 34.235 17.871 28.521 -99.200 -91.000 HIS 131 0.900 29.839 17.399 26.829 -99.200 -91.000 PHE 132 1.000 31.285 15.511 32.390 -99.200 -91.000 HIS 146 0.900 14.003 8.583 42.947 -99.200 -91.000 TYR 161 0.840 6.297 -5.116 47.156 -99.200 -91.000 PHE 163 1.000 11.468 5.166 46.176 -99.200 -91.000