============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 5 1.000 42.322 89.614 48.743 -99.200 -91.000 HIS 15 0.900 55.409 79.731 60.002 -99.200 -91.000 PHE 17 1.000 50.948 78.842 50.176 -99.200 -91.000 HIS 22 0.900 56.279 79.574 46.961 -99.200 -91.000 TYR 26 0.840 50.497 87.551 55.319 -99.200 -91.000 TYR 27 0.840 46.841 93.068 49.456 -99.200 -91.000 TYR 45 0.840 29.338 81.168 53.250 -99.200 -91.000 TYR 55 0.840 40.379 92.680 45.636 -99.200 -91.000 PHE 73 1.000 30.816 80.235 62.778 -99.200 -91.000 TRP 76 1.040 28.720 77.044 66.812 -99.200 -91.000 TRP6 76 1.020 30.839 75.970 66.808 -99.200 -91.000 PHE 104 1.000 46.041 75.865 53.344 -99.200 -91.000 PHE 108 1.000 40.447 72.394 65.098 -99.200 -91.000 PHE 138 1.000 47.096 74.442 47.949 -99.200 -91.000 PHE 165 1.000 28.416 71.249 61.669 -99.200 -91.000 TRP 176 1.040 39.134 74.634 70.159 -99.200 -91.000 TRP6 176 1.020 37.783 74.864 68.238 -99.200 -91.000 PHE 180 1.000 38.331 64.942 62.710 -99.200 -91.000