============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TRP 12 1.040 95.040 39.084 61.193 -99.200 -91.000 TRP6 12 1.020 95.790 40.556 59.500 -99.200 -91.000 HIS 13 0.900 93.803 36.899 66.106 -99.200 -91.000 TRP 21 1.040 105.364 42.247 59.492 -99.200 -91.000 TRP6 21 1.020 103.011 42.288 59.587 -99.200 -91.000 PHE 34 1.000 95.777 47.932 53.357 -99.200 -91.000 PHE 40 1.000 86.275 55.871 48.667 -99.200 -91.000 TYR 43 0.840 97.268 51.476 48.657 -99.200 -91.000 HIS 44 0.900 92.395 46.701 43.249 -99.200 -91.000 PHE 56 1.000 99.071 45.315 62.390 -99.200 -91.000 PHE 62 1.000 97.041 45.604 67.089 -99.200 -91.000 TYR 64 0.840 93.898 41.941 66.584 -99.200 -91.000 HIS 67 0.900 86.448 37.515 69.203 -99.200 -91.000 PHE 68 1.000 81.936 42.849 67.303 -99.200 -91.000 TYR 74 0.840 86.777 35.330 61.585 -99.200 -91.000 PHE 78 1.000 93.354 48.291 65.487 -99.200 -91.000 PHE 94 1.000 90.608 34.924 56.751 -99.200 -91.000