============================================================================= 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. PHE 12 1.000 83.202 14.352 -5.293 -99.200 -91.000 PHE 33 1.000 76.699 35.837 1.276 -99.200 -91.000 TRP 44 1.040 72.298 26.525 -5.639 -99.200 -91.000 TRP6 44 1.020 73.687 27.971 -4.401 -99.200 -91.000 TRP 53 1.040 81.403 22.245 -0.309 -99.200 -91.000 TRP6 53 1.020 82.779 21.445 1.425 -99.200 -91.000 HIS 55 0.900 85.571 27.354 -0.837 -99.200 -91.000 PHE 63 1.000 79.956 39.159 2.665 -99.200 -91.000 PHE 72 1.000 75.900 27.832 3.998 -99.200 -91.000 PHE 74 1.000 83.963 29.376 11.125 -99.200 -91.000 HIS 75 0.900 85.661 20.958 5.505 -99.200 -91.000 HIS 76 0.900 89.187 24.077 4.934 -99.200 -91.000 TRP 87 1.040 75.380 16.242 4.375 -99.200 -91.000 TRP6 87 1.020 73.289 15.116 4.473 -99.200 -91.000