============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 40 0.840 30.242 33.951 -5.409 -99.200 -91.000 TYR 41 0.840 37.283 26.952 -10.460 -99.200 -91.000 HIS 42 0.900 40.426 31.219 -8.973 -99.200 -91.000 PHE 43 1.000 39.921 33.288 -3.906 -99.200 -91.000 TYR 56 0.840 48.657 38.502 -1.562 -99.200 -91.000 TYR 64 0.840 56.070 43.609 3.266 -99.200 -91.000 TRP 100 1.040 47.160 42.548 9.997 -99.200 -91.000 TRP6 100 1.020 46.772 40.307 9.353 -99.200 -91.000 TYR 109 0.840 32.452 45.083 10.471 -99.200 -91.000 TRP 124 1.040 54.017 40.623 15.016 -99.200 -91.000 TRP6 124 1.020 52.429 42.385 15.162 -99.200 -91.000 TRP 164 1.040 53.108 54.950 9.114 -99.200 -91.000 TRP6 164 1.020 53.027 52.863 8.000 -99.200 -91.000 HIS 177 0.900 56.401 57.813 19.205 -99.200 -91.000