============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 15 1.000 14.439 39.983 17.666 -99.200 -91.000 HIS 30 0.900 -7.344 50.043 25.333 -99.200 -91.000 TRP 55 1.040 -4.395 34.003 32.326 -99.200 -91.000 TRP6 55 1.020 -4.072 36.255 31.693 -99.200 -91.000 PHE 58 1.000 -1.019 23.844 32.057 -99.200 -91.000 TYR 71 0.840 5.649 13.764 45.908 -99.200 -91.000 PHE 81 1.000 8.379 32.595 38.586 -99.200 -91.000 TYR 83 0.840 12.859 36.345 38.007 -99.200 -91.000 HIS 92 0.900 -5.671 31.479 41.541 -99.200 -91.000 TYR 97 0.840 -9.902 26.057 30.399 -99.200 -91.000 TYR 108 0.840 12.403 41.050 39.640 -99.200 -91.000 HIS 110 0.900 9.543 48.984 34.685 -99.200 -91.000 PHE 115 1.000 7.904 39.698 31.129 -99.200 -91.000 HIS 120 0.900 14.170 28.845 30.077 -99.200 -91.000 PHE 122 1.000 3.451 31.126 33.773 -99.200 -91.000 TYR 123 0.840 8.135 26.205 27.240 -99.200 -91.000