============================================================================= 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. TRP 16 1.040 25.005 1.672 54.133 -99.200 -91.000 TRP6 16 1.020 27.039 0.642 54.739 -99.200 -91.000 TRP 19 1.040 26.942 2.803 62.590 -99.200 -91.000 TRP6 19 1.020 26.324 3.727 64.669 -99.200 -91.000 HIS 27 0.900 15.522 -3.473 52.017 -99.200 -91.000 TRP 28 1.040 22.108 -6.095 48.503 -99.200 -91.000 TRP6 28 1.020 24.305 -6.877 48.870 -99.200 -91.000 HIS 34 0.900 26.348 -5.792 44.745 -99.200 -91.000 TYR 35 0.840 26.703 -3.921 36.771 -99.200 -91.000 PHE 57 1.000 36.882 4.957 57.404 -99.200 -91.000 HIS 84 0.900 41.897 5.682 59.745 -99.200 -91.000 PHE 88 1.000 39.226 2.212 54.180 -99.200 -91.000 TRP 100 1.040 33.279 7.883 51.642 -99.200 -91.000 TRP6 100 1.020 33.844 7.251 53.846 -99.200 -91.000 HIS 101 0.900 31.775 14.695 49.408 -99.200 -91.000 PHE 108 1.000 14.684 -0.729 44.471 -99.200 -91.000 HIS 116 0.900 25.465 -0.890 44.792 -99.200 -91.000 TRP 117 1.040 25.060 0.258 37.238 -99.200 -91.000 TRP6 117 1.020 22.722 -0.034 37.277 -99.200 -91.000