============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 13 0.840 65.336 26.468 6.065 -99.200 -91.000 PHE 19 1.000 62.991 36.671 18.071 -99.200 -91.000 TRP 25 1.040 53.579 30.914 14.567 -99.200 -91.000 TRP6 25 1.020 54.278 28.774 15.310 -99.200 -91.000 HIS 44 0.900 26.781 27.896 17.042 -99.200 -91.000 TYR 52 0.840 19.268 25.548 8.149 -99.200 -91.000 TYR 71 0.840 40.859 26.446 11.960 -99.200 -91.000 HIS 76 0.900 49.309 26.896 2.870 -99.200 -91.000 TYR 79 0.840 52.344 21.032 7.659 -99.200 -91.000 HIS 96 0.900 72.632 8.027 18.462 -99.200 -91.000 HIS 108 0.900 65.685 14.115 19.740 -99.200 -91.000 TYR 140 0.840 44.087 18.332 4.886 -99.200 -91.000 TYR 145 0.840 29.729 23.385 5.637 -99.200 -91.000 PHE 177 1.000 31.713 20.359 9.577 -99.200 -91.000 HIS 187 0.900 43.131 21.680 21.331 -99.200 -91.000 TYR 199 0.840 62.702 29.596 19.063 -99.200 -91.000 TRP 203 1.040 66.937 31.928 22.661 -99.200 -91.000 TRP6 203 1.020 69.023 32.488 21.693 -99.200 -91.000 HIS 215 0.900 88.413 24.836 30.083 -99.200 -91.000