============================================================================= 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. PHE 4 1.000 51.473 55.998 15.547 -99.200 -91.000 HIS 5 0.900 50.091 55.788 8.940 -99.200 -91.000 HIS 44 0.900 40.576 58.427 8.668 -99.200 -91.000 PHE 47 1.000 46.644 53.288 4.406 -99.200 -91.000 TRP 50 1.040 33.445 49.583 2.898 -99.200 -91.000 TRP6 50 1.020 31.134 49.642 2.402 -99.200 -91.000 PHE 86 1.000 46.775 40.945 7.300 -99.200 -91.000 HIS 98 0.900 51.022 28.685 -19.789 -99.200 -91.000 HIS 119 0.900 62.467 49.177 4.529 -99.200 -91.000 PHE 120 1.000 57.817 44.348 6.715 -99.200 -91.000 PHE 125 1.000 61.369 34.428 5.232 -99.200 -91.000 PHE 131 1.000 49.156 23.306 1.720 -99.200 -91.000 HIS 149 0.900 46.837 29.154 -16.128 -99.200 -91.000 PHE 159 1.000 50.929 51.656 -13.994 -99.200 -91.000 TYR 160 0.840 59.609 52.735 -14.978 -99.200 -91.000 TRP 168 1.040 61.639 38.993 -14.128 -99.200 -91.000 TRP6 168 1.020 63.149 37.941 -12.650 -99.200 -91.000 TYR 176 0.840 57.045 41.874 -14.251 -99.200 -91.000 HIS 213 0.900 32.844 35.484 -12.836 -99.200 -91.000