============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 14 1.040 32.434 23.676 30.086 -99.200 -91.000 TRP6 14 1.020 31.343 21.584 30.106 -99.200 -91.000 HIS 20 0.900 40.171 15.597 26.620 -99.200 -91.000 TYR 24 0.840 35.599 14.612 29.430 -99.200 -91.000 PHE 33 1.000 21.060 7.813 23.953 -99.200 -91.000 PHE 36 1.000 18.980 6.928 34.494 -99.200 -91.000 TYR 42 0.840 11.819 12.044 24.912 -99.200 -91.000 PHE 43 1.000 18.277 11.439 21.645 -99.200 -91.000 HIS 45 0.900 16.137 11.480 15.414 -99.200 -91.000 PHE 46 1.000 20.677 11.262 16.978 -99.200 -91.000 HIS 50 0.900 31.278 2.910 22.511 -99.200 -91.000 HIS 58 0.900 22.117 15.578 20.776 -99.200 -91.000 HIS 72 0.900 27.612 34.034 26.826 -99.200 -91.000 HIS 87 0.900 15.983 21.096 23.953 -99.200 -91.000 HIS 89 0.900 7.714 27.164 21.301 -99.200 -91.000 PHE 98 1.000 15.205 18.962 29.582 -99.200 -91.000 HIS 103 0.900 23.137 10.010 38.279 -99.200 -91.000 HIS 112 0.900 36.502 11.062 31.176 -99.200 -91.000 PHE 117 1.000 32.045 15.127 40.885 -99.200 -91.000 HIS 122 0.900 28.439 15.323 43.697 -99.200 -91.000 PHE 128 1.000 26.199 25.228 34.315 -99.200 -91.000 TYR 140 0.840 9.454 21.626 27.711 -99.200 -91.000