Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.0580 CA :: 55.9260 CB :: 61.1110 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3430 HA :: 4.5390 HB2 :: 3.9010 HB3 :: 3.9010 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.4950 Ave N Shift Values>> N :: 116.28(3.52) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 K 0.18 R 0.13 D 0.12 F 0.08 Y 0.05 C 0.03 I 0.02 C Shift Assignments>> C :: 170.9480 CA :: 42.3900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2860 HA2 :: 3.9570 HA3 :: 3.9570 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0250 Ave N Shift Values>> N :: 109.67(3.87) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.28 L 0.09 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 173.6590 CA :: 52.9500 CB :: 39.7510 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9660 HA :: 4.1110 HB2 :: 1.5810 HB3 :: 1.5810 HG :: 1.5810 HD11 :: 0.8430 HD12 :: 0.8430 HD13 :: 0.8430 HD21 :: 0.8430 HD22 :: 0.8430 HD23 :: 0.8430 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.8310 Ave N Shift Values>> N :: 121.86(3.9) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.14 W 0.14 Q 0.13 R 0.13 C 0.12 K 0.1 M 0.05 I 0.01 C Shift Assignments>> C :: 171.6300 CA :: 56.8520 CB :: 29.9000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.6050 HA :: 4.3310 HB :: 2.0320 HG11 :: 0.8940 HG12 :: 0.8940 HG13 :: 0.8940 HG21 :: 0.8940 HG22 :: 0.8940 HG23 :: 0.8940 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.9320 Ave N Shift Values>> N :: 121.14(4.54) 1.P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.17 Q 0.16 C 0.15 H 0.13 K 0.11 W 0.09 R 0.07 E 0.05 M 0.02 C Shift Assignments>> C :: 174.2080 CA :: 53.4200 CB :: 28.0830 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2780 HA :: 4.3040 HB2 :: 1.7090 HB3 :: 1.7090 HG2 :: 1.7090 HG3 :: 1.7090 HD2 :: 3.1780 HD3 :: 3.1780 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.4070 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.16 K 0.16 D 0.11 F 0.08 Y 0.05 C 0.03 I 0.02 G 0.01 C Shift Assignments>> C :: 171.5410 CA :: 42.5080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5290 HA2 :: 4.0090 HA3 :: 4.0130 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0390 Ave N Shift Values>> N :: 109.67(3.87) 1.S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.7560 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.7950 Ave N Shift Values>> N :: 116.28(3.52) 1.R27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.32 L 0.31 K 0.08 D 0.08 F 0.06 Y 0.03 C 0.03 G 0.02 I 0.01 C Shift Assignments>> CA :: 42.9140 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 Q 0.16 C 0.15 H 0.12 K 0.1 W 0.09 R 0.06 E 0.05 M 0.02 HN Overlap>> 1.Y111 1.Y111 C Shift Assignments>> C :: 173.5290 CA :: 53.5060 CB :: 27.8630 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8350 HA :: 4.3100 HB2 :: 1.8650 HB3 :: 1.7830 HD2 :: 3.1330 HD3 :: 3.1330 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.5660 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T151 1.S155 1.T151 1.S155 C Shift Assignments>> C :: 170.8860 CA :: 55.5970 CB :: 61.0890 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0840 HA :: 4.4460 HB2 :: 3.8170 HB3 :: 3.8170 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.6330 Ave N Shift Values>> N :: 116.28(3.52) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.13 D 0.09 G 0.03 F 0.01 Y 0.01 L 0.01 HN Overlap>> 1.L178 1.R124 1.L178 1.R124 1.R195 1.R195 C Shift Assignments>> C :: 172.2530 CA :: 49.2230 CB :: 38.5590 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1270 HA :: 4.8790 HB2 :: 2.7590 HB3 :: 2.6100 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.3540 Ave N Shift Values>> N :: 120.65(3.86) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.26 C 0.23 W 0.14 K 0.07 E 0.07 H 0.05 R 0.04 Q 0.04 V 0.03 C Shift Assignments>> CA :: 60.8760 CB :: 28.9740 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 M 0.21 E 0.18 Q 0.13 K 0.11 Y 0.03 N 0.02 H 0.01 F 0.01 R 0.01 C Shift Assignments>> C :: 173.1150 CA :: 55.5400 CB :: 35.1820 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.0140 HA :: 4.4270 HB2 :: 2.9910 HB3 :: 2.8300 HD1 :: 7.8300 HD2 :: 7.8300 HE1 :: 6.7790 HE2 :: 6.7790 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.8330 Ave N Shift Values>> N :: 120.52(4.2) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 R 0.18 C 0.15 K 0.08 Q 0.06 H 0.04 W 0.03 P 0.02 E 0.01 C Shift Assignments>> C :: 171.1680 CA :: 52.9420 CB :: 26.3180 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.8220 HA :: 4.5700 HB2 :: 3.0750 HB3 :: 3.2580 HD1 :: 8.1140 HD2 :: 7.7930 HE1 :: 8.1140 HE2 :: 7.7930 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.6840 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C Shift Assignments>> C :: 175.0710 CA :: 49.9340 CB :: 16.4930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1400 HA :: 4.3410 HB1 :: 1.3710 HB2 :: 1.3710 HB3 :: 1.3710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.5120 Ave N Shift Values>> N :: 123.23(3.54) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 S 0.45 C Shift Assignments>> C :: 171.9070 CA :: 58.9070 CB :: 67.0160 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1040 HA :: 4.4000 HB :: 4.2380 HG21 :: 1.1780 HG22 :: 1.1780 HG23 :: 1.1780 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.6350 Ave N Shift Values>> N :: 115.42(4.75) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 S 0.41 C Shift Assignments>> C :: 171.8680 CA :: 58.8170 CB :: 67.1070 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9470 HA :: 4.4020 HB :: 4.2320 HG21 :: 1.1840 HG22 :: 1.1840 HG23 :: 1.1840 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.6820 Ave N Shift Values>> N :: 115.42(4.75) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 L 0.25 D 0.15 F 0.1 Y 0.06 R 0.04 C 0.03 I 0.03 N 0.01 C Shift Assignments>> C :: 169.3700 CA :: 41.9400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1240 HA2 :: 4.0770 HA3 :: 4.0770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6410 Ave N Shift Values>> N :: 109.67(3.87) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.21 I 0.19 W 0.15 K 0.1 E 0.09 Q 0.07 H 0.06 R 0.06 V 0.02 M 0.01 C Shift Assignments>> CA :: 60.1840 CB :: 28.9190 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.25 C 0.06 L 0.06 F 0.04 Y 0.04 C Shift Assignments>> C :: 173.4440 CA :: 51.9800 CB :: 39.5980 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8690 HA :: 4.3260 HB2 :: 1.5770 HB3 :: 1.5770 HG :: 1.5770 HD11 :: 0.8910 HD12 :: 0.8910 HD13 :: 0.8910 HD21 :: 0.8910 HD22 :: 0.8910 HD23 :: 0.8910 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.8870 Ave N Shift Values>> N :: 121.86(3.9) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.57 P 0.24 C 0.18 C Shift Assignments>> C :: 172.0820 CA :: 53.3930 CB :: 60.9130 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0310 HA :: 4.7170 HB2 :: 3.8150 HB3 :: 3.8150 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.3600 Ave N Shift Values>> N :: 116.28(3.52) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.27 C 0.23 W 0.14 K 0.07 E 0.07 H 0.05 R 0.04 Q 0.04 V 0.03 C Shift Assignments>> CA :: 60.8735 CB :: 28.9610 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.0040 CA :: 55.8620 CB :: 60.8160 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2060 HA :: 4.4520 HB2 :: 3.8990 HB3 :: 3.8990 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.4700 Ave N Shift Values>> N :: 116.28(3.52) 1.K83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> H 0.19 R 0.15 Q 0.14 C 0.14 W 0.12 M 0.09 E 0.09 K 0.04 C Shift Assignments>> C :: 173.3900 CA :: 53.6730 CB :: 30.0280 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1980 HA :: 4.2900 HB2 :: 1.7630 HB3 :: 1.7630 HG2 :: 1.4140 HG3 :: 1.4140 HD2 :: 1.7630 HD3 :: 1.7630 HZ1 :: 7.8420(U) HZ2 :: 7.8420(U) HZ3 :: 7.8420(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.6880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.1 D 0.08 Y 0.03 F 0.03 L 0.01 M 0.01 C Shift Assignments>> C :: 173.5060 CA :: 51.3400 CB :: 38.1260 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2100 HA :: 4.5430 HB2 :: 2.6130 HB3 :: 2.6130 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.5680 Ave N Shift Values>> N :: 120.65(3.86) 1.C85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 K 0.32 C 0.13 R 0.08 Q 0.03 H 0.01 W 0.01 I 0.01 HN Overlap>> 1.N125 1.N120 1.N134 1.N125 1.N120 1.N134 C Shift Assignments>> C :: 172.1860 CA :: 55.8270 CB :: 25.2150 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1410 HA :: 4.5880 HB2 :: 2.9240 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.9990 Ave N Shift Values>> N :: 120.17(4.64) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 K 0.19 D 0.12 R 0.12 F 0.08 Y 0.05 C 0.03 I 0.02 N 0.01 C Shift Assignments>> C :: 170.9180 CA :: 42.3500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3840 HA2 :: 3.9460 HA3 :: 3.9460 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5160 Ave N Shift Values>> N :: 109.67(3.87) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.47 P 0.26 C 0.25 C Shift Assignments>> C :: 170.2300 CA :: 53.3390 CB :: 60.6330 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9490 HA :: 4.6240 HB2 :: 3.8130 HB3 :: 3.8130 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.1980 Ave N Shift Values>> N :: 116.28(3.52) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.22 I 0.18 W 0.16 E 0.09 K 0.07 R 0.06 H 0.06 Q 0.05 V 0.04 M 0.01 C Shift Assignments>> CA :: 60.5910 CB :: 29.4330 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> H 0.18 Q 0.16 R 0.15 C 0.13 W 0.12 E 0.1 M 0.07 K 0.03 HN Overlap>> 1.N127 1.N127 1.D164 1.C123 1.D164 1.C123 C Shift Assignments>> C :: 173.5720 CA :: 54.1990 CB :: 29.7460 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0830 HA :: 4.0880 HB2 :: 1.9400 HG2 :: 1.2020 HG3 :: 1.2020 HD2 :: 1.5960 HD3 :: 1.5960 HE2 :: 2.6630 HZ1 :: 7.7610(U) HZ2 :: 7.7610(U) HZ3 :: 7.7610(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.9700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.22 M 0.19 N 0.08 K 0.07 Q 0.07 Y 0.05 F 0.02 H 0.01 C Shift Assignments>> C :: 172.9360 CA :: 54.7580 CB :: 35.7370 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.6540 HA :: 4.4670 HB2 :: 2.9910 HB3 :: 2.8600 HD1 :: 7.0350 HD2 :: 7.0350 HE1 :: 6.6350 HE2 :: 6.6350 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.1330 Ave N Shift Values>> N :: 120.52(4.2) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.18 C 0.01 HN Overlap>> 1.A136 1.A136 C Shift Assignments>> C :: 174.4880 CA :: 50.0250 CB :: 16.1900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8520 HA :: 4.1770 HB1 :: 1.2080 HB2 :: 1.2080 HB3 :: 1.2080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6390 Ave N Shift Values>> N :: 123.23(3.54) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.23 M 0.16 Y 0.06 K 0.06 N 0.06 Q 0.05 F 0.03 I 0.01 C Shift Assignments>> C :: 172.9740 CA :: 55.4810 CB :: 35.9390 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.6390 HA :: 4.3700 HB2 :: 2.8020 HB3 :: 2.8020 HD1 :: 6.9070 HD2 :: 6.9070 HE1 :: 6.4750 HE2 :: 6.4750 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.5200 Ave N Shift Values>> N :: 120.52(4.2) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 C 0.23 M 0.12 N 0.12 Y 0.09 F 0.05 K 0.04 Q 0.02 I 0.01 C Shift Assignments>> C :: 172.6550 CA :: 55.2130 CB :: 36.4090 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.8070 HA :: 4.5440 HB2 :: 3.1340 HB3 :: 2.9710 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.1960 Ave N Shift Values>> N :: 120.45(4.18) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.3 M 0.08 E 0.02 Y 0.01 F 0.01 K 0.01 HN Overlap>> 1.Q133 1.Q147 1.Q133 1.Q147 C Shift Assignments>> C :: 172.7790 CA :: 50.5240 CB :: 36.1720 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1020 HB2 :: 2.7060 HB3 :: 2.7060 HD21 :: 7.6440 HD22 :: 7.1030 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.6210 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.26 K 0.11 D 0.09 F 0.07 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 171.3020 CA :: 42.7650 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8400 HA2 :: 3.8830 HA3 :: 3.8830 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1200 Ave N Shift Values>> N :: 109.67(3.87) 1.C96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 K 0.29 C 0.13 R 0.1 Q 0.03 H 0.02 W 0.01 I 0.01 HN Overlap>> 1.M106 1.M106 C Shift Assignments>> C :: 171.6340 CA :: 55.5330 CB :: 25.3450 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.0090 HA :: 4.5050 HB2 :: 2.9040 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.1070 Ave N Shift Values>> N :: 120.17(4.64) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S194 1.S194 C Shift Assignments>> C :: 171.0880 CA :: 55.7750 CB :: 61.0850 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2450 HA :: 4.4950 HB2 :: 3.8230 HB3 :: 3.8230 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.3970 Ave N Shift Values>> N :: 116.28(3.52) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.48 P 0.31 C 0.19 HN Overlap>> 1.H176 1.H176 C Shift Assignments>> C :: 170.3400 CA :: 53.2940 CB :: 60.8710 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0690 HA :: 4.6430 HB2 :: 3.8120 HB3 :: 3.8120 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.6540 Ave N Shift Values>> N :: 116.28(3.52) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.23 C 0.22 W 0.15 E 0.08 K 0.08 H 0.05 R 0.05 Q 0.05 V 0.03 C Shift Assignments>> CA :: 60.7070 CB :: 29.0840 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.52 T 0.47 C Shift Assignments>> C :: 171.1440 CA :: 58.6400 CB :: 66.9690 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8820 HA :: 4.2790 HB :: 4.2070 HG21 :: 1.1450 HG22 :: 1.1450 HG23 :: 1.1450 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.6220 Ave N Shift Values>> N :: 115.42(4.75) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 A 0.09 M 0.01 C Shift Assignments>> C :: 172.7300 CA :: 47.9490 CB :: 15.6370 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9350 HA :: 4.5410 HB1 :: 1.3510 HB2 :: 1.3510 HB3 :: 1.3510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.5820 Ave N Shift Values>> N :: 123.23(3.54) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.22 I 0.2 W 0.16 E 0.08 K 0.08 H 0.06 R 0.06 Q 0.05 V 0.03 M 0.01 C Shift Assignments>> CA :: 60.5210 CB :: 29.2100 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.21 C 0.07 L 0.05 F 0.04 Y 0.04 HN Overlap>> 1.D117 1.D117 C Shift Assignments>> C :: 174.0620 CA :: 51.9370 CB :: 39.3230 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1040 HA :: 4.3460 HB2 :: 1.5900 HB3 :: 1.5900 HG :: 1.5900 HD11 :: 0.8330 HD12 :: 0.8330 HD13 :: 0.8330 HD21 :: 0.8330 HD22 :: 0.8330 HD23 :: 0.8330 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.4080 Ave N Shift Values>> N :: 121.86(3.9) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.47 P 0.28 C 0.23 C Shift Assignments>> C :: 170.1800 CA :: 53.3230 CB :: 60.7090 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9610 HA :: 4.6240 HB2 :: 3.8070 HB3 :: 3.8070 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.6350 Ave N Shift Values>> N :: 116.28(3.52) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.27 C 0.23 W 0.14 K 0.07 E 0.07 H 0.05 Q 0.04 R 0.04 V 0.03 C Shift Assignments>> CA :: 60.8730 CB :: 28.9320 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.17 R 0.14 Q 0.11 W 0.11 M 0.1 E 0.05 K 0.05 P 0.02 HN Overlap>> 1.C96 1.C96 C Shift Assignments>> C :: 172.7670 CA :: 52.5090 CB :: 30.2210 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.0090 HA :: 4.2570 HB2 :: 2.0570 HB3 :: 1.9370 HG2 :: 2.4900 HG3 :: 2.4900 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.1070 Ave N Shift Values>> N :: 120.09(3.57) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.45 P 0.3 C 0.23 C Shift Assignments>> C :: 170.1800 CA :: 53.2930 CB :: 60.7150 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9510 HA :: 4.6480 HB2 :: 3.7510 HB3 :: 3.7510 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.7590 Ave N Shift Values>> N :: 116.28(3.52) 1.P108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.3 C 0.22 W 0.14 K 0.07 E 0.06 Q 0.05 H 0.05 R 0.04 V 0.02 C Shift Assignments>> CA :: 60.7520 CB :: 28.5840 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.22 K 0.13 D 0.1 F 0.07 Y 0.04 C 0.03 I 0.01 G 0.01 HN Overlap>> 1.G149 1.G149 C Shift Assignments>> C :: 171.6600 CA :: 42.6590 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2700 HA2 :: 3.9600 HA3 :: 3.9600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7660 Ave N Shift Values>> N :: 109.67(3.87) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.24 M 0.15 K 0.07 Y 0.06 Q 0.06 F 0.03 N 0.02 I 0.01 HN Overlap>> 1.R68 1.R68 C Shift Assignments>> C :: 173.6830 CA :: 56.2930 CB :: 35.7740 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.7630 HA :: 4.3450 HB2 :: 2.9760 HB3 :: 2.9760 HD1 :: 7.0210 HD2 :: 7.0210 HE1 :: 6.7680 HE2 :: 6.7680 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.5560 Ave N Shift Values>> N :: 120.52(4.2) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 Q 0.15 C 0.15 R 0.15 W 0.12 M 0.08 E 0.08 K 0.03 HN Overlap>> 1.M145 1.M145 C Shift Assignments>> C :: 173.7910 CA :: 53.3590 CB :: 29.7740 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1440 HA :: 4.4220 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.4750 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.25 F 0.08 L 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 174.7080 CA :: 53.4410 CB :: 39.4530 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7880 HA :: 4.2210 HB2 :: 1.6160 HB3 :: 1.6160 HG :: 1.6160 HD11 :: 0.8580 HD12 :: 0.8580 HD13 :: 0.8580 HD21 :: 0.8580 HD22 :: 0.8580 HD23 :: 0.8580 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.8130 Ave N Shift Values>> N :: 121.86(3.9) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 I 0.11 E 0.11 R 0.08 H 0.08 K 0.08 Q 0.06 V 0.04 M 0.01 C Shift Assignments>> C :: 173.5800 CA :: 60.0570 CB :: 29.6860 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7270 HA :: 4.1120 HB :: 2.1220 HG11 :: 0.8960 HG12 :: 0.8960 HG13 :: 0.8960 HG21 :: 0.8910 HG22 :: 0.8910 HG23 :: 0.8910 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.2100 Ave N Shift Values>> N :: 121.14(4.54) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 S 0.38 C Shift Assignments>> C :: 172.5430 CA :: 59.1680 CB :: 67.0850 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8160 HA :: 4.3200 HB :: 4.2710 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.3300 Ave N Shift Values>> N :: 115.42(4.75) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.2 K 0.14 D 0.1 F 0.07 Y 0.04 C 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 171.0430 CA :: 42.6250 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0450 HA2 :: 3.9420 HA3 :: 3.9420 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0960 Ave N Shift Values>> N :: 109.67(3.87) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 C 0.1 D 0.1 Y 0.03 F 0.03 L 0.01 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 173.8710 CA :: 51.4400 CB :: 38.2580 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1730 HA :: 4.5870 HB2 :: 2.6090 HB3 :: 2.6090 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.3200 Ave N Shift Values>> N :: 120.65(3.86) 1.R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 C 0.15 Q 0.15 H 0.11 W 0.08 K 0.07 R 0.05 E 0.04 M 0.01 C Shift Assignments>> C :: 173.6380 CA :: 53.6580 CB :: 27.5100 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2320 HA :: 4.2500 HB2 :: 1.7570 HB3 :: 1.7570 HG2 :: 1.7570 HG3 :: 1.7570 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.1410 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.32 M 0.11 E 0.03 K 0.01 Y 0.01 Q 0.01 F 0.01 P 0.01 C Shift Assignments>> C :: 172.3930 CA :: 50.7160 CB :: 35.9250 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.3630 HA :: 4.5770 HB2 :: 2.7180 HB3 :: 2.7180 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.3630 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.33 M 0.11 E 0.03 K 0.02 Q 0.01 P 0.01 Y 0.01 F 0.01 HN Overlap>> 1.C85 1.N125 1.C85 1.N125 1.N134 1.N134 C Shift Assignments>> C :: 172.8280 CA :: 50.5840 CB :: 35.8500 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2020 HA :: 4.7050 HB2 :: 2.7990 HB3 :: 2.7990 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.9530 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S122 1.S122 C Shift Assignments>> C :: 174.0210 CA :: 56.2270 CB :: 61.3180 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2630 HA :: 4.4620 HB2 :: 3.8790 HB3 :: 3.8790 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.2190 Ave N Shift Values>> N :: 116.28(3.52) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> 1.S121 1.S121 C Shift Assignments>> C :: 171.6920 CA :: 55.6950 CB :: 60.4550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2630 HA :: 4.4910 HB2 :: 3.8970 HB3 :: 3.8970 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.2190 Ave N Shift Values>> N :: 116.28(3.52) 1.C123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 K 0.35 C 0.13 R 0.02 Q 0.01 HN Overlap>> 1.K89 1.D164 1.Q129 1.K89 1.D164 1.Q129 1.Q158 1.Q158 C Shift Assignments>> C :: 174.2120 CA :: 56.0000 CB :: 24.3280 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1300 HA :: 4.4640 HB2 :: 2.9200 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.0450 Ave N Shift Values>> N :: 120.17(4.64) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 C 0.15 Q 0.15 H 0.09 W 0.09 K 0.07 E 0.06 R 0.04 I 0.03 M 0.01 HN Overlap>> 1.L178 1.L178 1.D70 1.R195 1.R191 1.D70 1.R195 1.R191 C Shift Assignments>> C :: 173.1130 CA :: 56.1400 CB :: 27.2390 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1520 HA :: 4.2610 HB2 :: 1.7240 HB3 :: 1.7240 HG2 :: 1.7240 HG3 :: 1.7240 HD2 :: 3.1520 HD3 :: 3.1520 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.2800 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 N 0.35 M 0.12 P 0.03 E 0.02 Q 0.02 K 0.02 Y 0.01 HN Overlap>> 1.C85 1.C85 1.N120 1.N134 1.N120 1.N134 C Shift Assignments>> C :: 172.0770 CA :: 50.4090 CB :: 35.6730 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1410 HA :: 4.4370 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.9990 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 C 0.23 M 0.18 K 0.08 Q 0.07 Y 0.05 N 0.04 F 0.02 H 0.01 I 0.01 C Shift Assignments>> C :: 174.2240 CA :: 55.5240 CB :: 35.6750 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.9630 HA :: 4.4700 HB2 :: 2.9690 HB3 :: 2.9690 HD1 :: 7.0600 HD2 :: 7.0600 HE1 :: 6.7880 HE2 :: 6.7880 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.6130 Ave N Shift Values>> N :: 120.52(4.2) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.34 M 0.11 E 0.02 P 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 HN Overlap>> 1.K89 1.K89 C Shift Assignments>> C :: 172.5430 CA :: 50.5000 CB :: 35.8130 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1710 HA :: 4.2320 HB2 :: 2.7120 HB3 :: 2.7120 HD21 :: 7.3110 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.9020 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.15 R 0.15 C 0.13 W 0.12 E 0.1 M 0.08 K 0.04 HN Overlap>> 1.Q179 1.Q179 C Shift Assignments>> C :: 174.0380 CA :: 54.3310 CB :: 29.9550 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0350 HA :: 4.1700 HB2 :: 1.7320 HB3 :: 1.7320 HG2 :: 1.3650 HD2 :: 1.7320 HD3 :: 1.7320 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.6780 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 R 0.19 C 0.14 K 0.08 Q 0.07 H 0.04 W 0.03 E 0.01 HN Overlap>> 1.D164 1.D164 1.C123 1.Q158 1.C123 1.Q158 C Shift Assignments>> C :: 173.5850 CA :: 53.5540 CB :: 26.3420 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1800 HB2 :: 1.8320 HB3 :: 1.8320 HG2 :: 2.2950 HG3 :: 2.2950 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.0320 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C 0.01 HN Overlap>> 1.A196 1.A196 C Shift Assignments>> C :: 175.3040 CA :: 50.2950 CB :: 16.1440 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1020 HA :: 4.2430 HB1 :: 1.3550 HB2 :: 1.3550 HB3 :: 1.3550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1250 Ave N Shift Values>> N :: 123.23(3.54) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S193 1.S197 1.S193 1.S197 C Shift Assignments>> C :: 172.2170 CA :: 55.9860 CB :: 60.9680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0740 HA :: 4.4290 HB2 :: 3.8480 HB3 :: 3.8480 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.9880 Ave N Shift Values>> N :: 116.28(3.52) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.22 C 0.12 Q 0.11 H 0.07 W 0.05 K 0.04 E 0.03 HN Overlap>> 1.E206 1.E206 C Shift Assignments>> C :: 174.0590 CA :: 54.3340 CB :: 27.0620 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2310 HA :: 4.1790 HB2 :: 1.9430 HB3 :: 1.9430 HG2 :: 2.2190 HG3 :: 2.2190 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.0140 Ave N Shift Values>> N :: 120.67(3.48) 1.Q133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 R 0.19 C 0.14 K 0.09 Q 0.07 H 0.04 W 0.03 E 0.01 HN Overlap>> 1.Q147 1.N94 1.Q147 1.N94 C Shift Assignments>> C :: 173.1130 CA :: 53.7530 CB :: 26.3060 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0720 HA :: 4.1470 HB2 :: 1.8380 HB3 :: 2.1230 HG2 :: 2.3290 HG3 :: 2.3290 HE21 :: 7.2510 HE22 :: 7.7720 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.6810 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.3 M 0.1 E 0.03 Y 0.02 K 0.01 Q 0.01 F 0.01 HN Overlap>> 1.C85 1.N125 1.N120 1.C85 1.N125 1.N120 C Shift Assignments>> C :: 172.7470 CA :: 50.7970 CB :: 36.0300 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1410 HA :: 4.4560 HB2 :: 2.7030 HB3 :: 2.7030 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.9990 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 C 0.13 K 0.09 Q 0.08 H 0.05 W 0.04 E 0.02 I 0.01 HN Overlap>> 1.D185 1.D161 1.L205 1.F162 1.D185 1.D161 1.L205 1.F162 C Shift Assignments>> C :: 173.8540 CA :: 54.9200 CB :: 26.4360 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.9230 HA :: 4.5440 HB2 :: 3.2490 HB3 :: 3.1650 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.1310 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C 0.01 HN Overlap>> 1.A91 1.A91 C Shift Assignments>> C :: 175.0590 CA :: 50.4520 CB :: 15.9170 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9300 HA :: 4.1030 HB1 :: 1.1920 HB2 :: 1.1920 HB3 :: 1.1920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5860 Ave N Shift Values>> N :: 123.23(3.54) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.35 M 0.13 E 0.03 P 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 HN Overlap>> 1.S139 1.S139 C Shift Assignments>> C :: 172.6250 CA :: 50.5690 CB :: 35.6980 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.9210 HA :: 4.2760 HB2 :: 2.7040 HB3 :: 2.6120 HD21 :: 7.7150 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.4660 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.23 M 0.16 K 0.07 Q 0.06 Y 0.06 N 0.03 F 0.03 I 0.01 C Shift Assignments>> C :: 173.4440 CA :: 55.8990 CB :: 35.7570 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.8750 HA :: 4.4560 HB2 :: 2.9780 HB3 :: 2.9780 HD1 :: 7.0290 HD2 :: 7.0290 HE1 :: 6.7420 HE2 :: 6.7420 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.3970 Ave N Shift Values>> N :: 120.52(4.2) 1.S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N137 1.N137 C Shift Assignments>> C :: 172.0720 CA :: 55.9120 CB :: 60.9670 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0060 HA :: 4.2000 HB2 :: 3.7600 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.5140 Ave N Shift Values>> N :: 116.28(3.52) 1.A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C 0.01 C Shift Assignments>> C :: 175.8510 CA :: 50.5670 CB :: 15.9890 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0760 HA :: 4.2070 HB1 :: 1.3940 HB2 :: 1.3940 HB3 :: 1.3940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5190 Ave N Shift Values>> N :: 123.23(3.54) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.22 C 0.12 Q 0.1 H 0.06 W 0.05 K 0.04 E 0.02 I 0.01 HN Overlap>> 1.S153 1.S153 C Shift Assignments>> C :: 174.6180 CA :: 54.5440 CB :: 26.8570 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1530 HA :: 4.1360 HB2 :: 1.9490 HB3 :: 1.9490 HG2 :: 2.2410 HG3 :: 2.2420 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.5630 Ave N Shift Values>> N :: 120.67(3.48) 1.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.16 K 0.16 C 0.15 Q 0.05 H 0.03 W 0.02 C Shift Assignments>> C :: 171.4970 CA :: 53.8530 CB :: 25.9040 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0520 HA :: 4.1620 HB2 :: 1.9650 HB3 :: 1.9650 HG2 :: 2.2620 HG3 :: 2.2620 HE21 :: 7.1930 HE22 :: 7.8310 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.3000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.32 M 0.12 E 0.03 K 0.02 Q 0.02 Y 0.01 P 0.01 F 0.01 HN Overlap>> 1.N168 1.N168 C Shift Assignments>> C :: 172.9480 CA :: 50.7390 CB :: 35.8480 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1530 HA :: 4.2870 HB2 :: 2.7690 HB3 :: 2.7690 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.3220 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 Q 0.16 C 0.14 H 0.11 K 0.09 W 0.08 R 0.05 E 0.05 M 0.01 C Shift Assignments>> C :: 173.9560 CA :: 54.1620 CB :: 27.6270 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0620 HA :: 4.2460 HB2 :: 1.8900 HB3 :: 1.7900 HG2 :: 1.6960 HG3 :: 1.6960 HD2 :: 3.3870 HD3 :: 3.3870 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.5470 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.14 C 0.14 R 0.14 W 0.11 K 0.09 M 0.07 E 0.07 HN Overlap>> 1.K112 1.K112 C Shift Assignments>> C :: 174.1960 CA :: 53.3590 CB :: 29.7610 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.1440 HA :: 4.3970 HB2 :: 2.0380 HB3 :: 2.0380 HG2 :: 2.5400 HG3 :: 2.5400 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.4750 Ave N Shift Values>> N :: 120.09(3.57) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.2 K 0.14 D 0.1 F 0.07 Y 0.04 C 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 171.5640 CA :: 42.6270 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1820 HA2 :: 3.9140 HA3 :: 3.9140 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9960 Ave N Shift Values>> N :: 109.67(3.87) 1.Q147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 R 0.19 C 0.14 Q 0.07 K 0.06 H 0.05 W 0.03 E 0.01 P 0.01 HN Overlap>> 1.Q133 1.Q133 1.N94 1.N94 C Shift Assignments>> C :: 173.2710 CA :: 53.1500 CB :: 26.4530 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0700 HA :: 4.3140 HB2 :: 1.9450 HB3 :: 1.9450 HG2 :: 2.3100 HG3 :: 2.3100 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.5770 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 C Shift Assignments>> C :: 175.4690 CA :: 50.1700 CB :: 16.1840 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2580 HA :: 4.2840 HB1 :: 1.3750 HB2 :: 1.3750 HB3 :: 1.3750 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7420 Ave N Shift Values>> N :: 123.23(3.54) 1.G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.17 K 0.15 D 0.11 F 0.08 Y 0.05 C 0.03 I 0.01 G 0.01 HN Overlap>> 1.G110 1.G110 C Shift Assignments>> C :: 171.5410 CA :: 42.5400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2460 HA2 :: 3.9420 HA3 :: 3.9420 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6960 Ave N Shift Values>> N :: 109.67(3.87) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S189 1.S189 C Shift Assignments>> C :: 172.1450 CA :: 55.7500 CB :: 61.1550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0520 HA :: 4.5150 HB2 :: 3.8580 HB3 :: 3.8580 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.1270 Ave N Shift Values>> N :: 116.28(3.52) 1.T151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 S 0.46 HN Overlap>> 1.S155 1.S69 1.S155 1.S69 C Shift Assignments>> C :: 171.9650 CA :: 59.2250 CB :: 66.9370 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1130 HA :: 4.3390 HB :: 4.2490 HG21 :: 1.1640 HG22 :: 1.1640 HG23 :: 1.1640 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.6070 Ave N Shift Values>> N :: 115.42(4.75) 1.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.26 Y 0.08 M 0.07 I 0.07 K 0.06 F 0.04 Q 0.03 V 0.03 C Shift Assignments>> C :: 173.5060 CA :: 58.7690 CB :: 35.7760 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9800 HA :: 4.1630 HB :: 1.8390 HG12 :: 1.4320 HG13 :: 1.1560 HG21 :: 0.8620 HG22 :: 0.8620 HG23 :: 0.8620 HD11 :: 0.8620 HD12 :: 0.8620 HD13 :: 0.8620 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.0030 Ave N Shift Values>> N :: 121.46(4.28) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E141 1.E141 C Shift Assignments>> C :: 171.6120 CA :: 55.5560 CB :: 60.9830 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1600 HA :: 4.4200 HB2 :: 3.8090 HB3 :: 3.8090 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.6350 Ave N Shift Values>> N :: 116.28(3.52) 1.N154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.32 M 0.1 E 0.02 Y 0.01 K 0.01 Q 0.01 P 0.01 F 0.01 HN Overlap>> 1.D165 1.D165 C Shift Assignments>> C :: 172.5420 CA :: 50.4470 CB :: 36.0060 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2680 HA :: 4.5470 HB2 :: 2.7730 HB3 :: 2.7730 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.7100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T151 1.T151 1.S69 1.S69 C Shift Assignments>> C :: 170.9040 CA :: 55.8160 CB :: 60.9520 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1130 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.6090 Ave N Shift Values>> N :: 116.28(3.52) 1.H156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 R 0.17 C 0.15 K 0.08 Q 0.05 P 0.04 H 0.04 W 0.03 C Shift Assignments>> C :: 171.2750 CA :: 52.6600 CB :: 26.2560 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.2860 HA :: 4.4200 HB2 :: 2.6590 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.4800 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 G 0.01 C 0.01 C Shift Assignments>> C :: 174.2240 CA :: 49.6110 CB :: 16.4610 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0670 HA :: 4.2870 HB1 :: 1.3190 HB2 :: 1.3190 HB3 :: 1.3190 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3600 Ave N Shift Values>> N :: 123.23(3.54) 1.Q158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.9 L 0.03 C 0.03 R 0.01 HN Overlap>> 1.D164 1.Q129 1.C123 1.D164 1.Q129 1.C123 C Shift Assignments>> C :: 171.5500 CA :: 49.9250 CB :: 26.2630 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1800 HA :: 4.2340 HB2 :: 1.9730 HB3 :: 1.9730 HG2 :: 2.3410 HG3 :: 2.3410 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.0320 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.23 C 0.22 W 0.15 K 0.08 E 0.08 Q 0.06 H 0.06 R 0.05 V 0.02 C Shift Assignments>> CA :: 60.4860 CB :: 28.8630 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.F160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 C 0.22 E 0.19 M 0.11 Y 0.08 F 0.05 K 0.03 D 0.01 Q 0.01 C Shift Assignments>> C :: 172.0730 CA :: 54.3300 CB :: 36.5700 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.7330 HA :: 4.5240 HB2 :: 2.9430 HB3 :: 2.9430 HD1 :: 7.3090 HD2 :: 7.3090 HE1 :: 7.5140 HE2 :: 7.5140 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.8690 Ave N Shift Values>> N :: 120.45(4.18) 1.D161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.12 C 0.1 Y 0.06 F 0.06 L 0.03 M 0.01 E 0.01 HN Overlap>> 1.D185 1.D185 1.F162 1.W135 1.F162 1.W135 C Shift Assignments>> C :: 172.2130 CA :: 52.9510 CB :: 38.3740 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9160 HA :: 4.5440 HB2 :: 2.4600 HB3 :: 2.4600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.0410 Ave N Shift Values>> N :: 120.65(3.86) 1.F162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.1 D 0.09 F 0.02 Y 0.02 L 0.01 HN Overlap>> 1.D185 1.D161 1.D185 1.D161 1.W135 1.W135 C Shift Assignments>> C :: 174.0970 CA :: 50.9900 CB :: 38.2840 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9540 HA :: 4.2700 HB2 :: 3.1220 HB3 :: 2.8830 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.0580 Ave N Shift Values>> N :: 120.45(4.18) 1.P163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.21 I 0.2 W 0.15 K 0.09 E 0.08 H 0.06 Q 0.06 R 0.06 V 0.02 M 0.01 C Shift Assignments>> CA :: 60.4200 CB :: 29.0460 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.D164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.11 C 0.09 F 0.03 Y 0.03 L 0.02 HN Overlap>> 1.K89 1.K89 1.Q129 1.C123 1.Q158 1.Q129 1.C123 1.Q158 C Shift Assignments>> C :: 173.3900 CA :: 51.5320 CB :: 38.3990 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1560 HA :: 4.5810 HB2 :: 2.6550 HB3 :: 2.6550 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.0520 Ave N Shift Values>> N :: 120.65(3.86) 1.D165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.1 D 0.1 Y 0.03 F 0.03 L 0.01 M 0.01 HN Overlap>> 1.N154 1.N154 C Shift Assignments>> C :: 173.7350 CA :: 51.6430 CB :: 38.2360 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1950 HA :: 4.3720 HB2 :: 2.6590 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.7070 Ave N Shift Values>> N :: 120.65(3.86) 1.N166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.3 M 0.13 E 0.04 K 0.02 Q 0.02 Y 0.02 F 0.01 C Shift Assignments>> C :: 173.1500 CA :: 51.1100 CB :: 35.8870 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.3310 HA :: 4.6090 HB2 :: 2.7940 HB3 :: 2.7940 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.6800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.18 K 0.15 C 0.14 Q 0.06 H 0.04 W 0.03 E 0.01 C Shift Assignments>> C :: 173.7140 CA :: 54.0800 CB :: 26.0210 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.2950 HA :: 4.1910 HB2 :: 1.9990 HB3 :: 1.9990 HG2 :: 2.3280 HG3 :: 2.3280 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.7040 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.3 M 0.13 E 0.04 K 0.02 Q 0.02 Y 0.02 F 0.01 HN Overlap>> 1.N143 1.N143 C Shift Assignments>> C :: 172.7320 CA :: 51.2340 CB :: 35.8630 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2370 HA :: 4.5950 HB2 :: 2.7640 HB3 :: 2.7640 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.3300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.22 C 0.01 C Shift Assignments>> C :: 175.3420 CA :: 50.4950 CB :: 16.1190 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9950 HA :: 4.2020 HB1 :: 1.3650 HB2 :: 1.3650 HB3 :: 1.3650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3740 Ave N Shift Values>> N :: 123.23(3.54) 1.K170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 Q 0.15 R 0.15 C 0.13 W 0.12 E 0.09 M 0.08 K 0.03 C Shift Assignments>> C :: 174.1290 CA :: 53.9650 CB :: 29.9300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9720 HA :: 4.1990 HB2 :: 1.7640 HB3 :: 1.7640 HG2 :: 1.4480 HG3 :: 1.4480 HD2 :: 1.7640 HD3 :: 1.7640 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.9250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 R 0.15 Q 0.15 C 0.14 W 0.12 E 0.09 M 0.08 K 0.03 HN Overlap>> 1.R187 1.R187 C Shift Assignments>> C :: 174.1170 CA :: 53.8990 CB :: 29.9460 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0030 HA :: 4.2680 HB2 :: 1.7760 HB3 :: 1.7760 HG2 :: 1.3740 HG3 :: 1.3740 HD2 :: 1.7760 HD3 :: 1.7760 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.4800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.12 I 0.09 R 0.09 H 0.08 K 0.07 Q 0.07 V 0.04 M 0.02 C Shift Assignments>> C :: 173.3400 CA :: 59.8570 CB :: 29.8100 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9100 HA :: 4.0280 HB :: 2.0340 HG11 :: 0.8920 HG12 :: 0.8920 HG13 :: 0.8920 HG21 :: 0.8920 HG22 :: 0.8920 HG23 :: 0.8920 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.1050 Ave N Shift Values>> N :: 121.14(4.54) 1.A173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> C :: 174.6090 CA :: 49.9350 CB :: 16.2790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1300 HA :: 4.2740 HB1 :: 1.3470 HB2 :: 1.3470 HB3 :: 1.3470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.3620 Ave N Shift Values>> N :: 123.23(3.54) 1.A174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> C :: 175.4690 CA :: 49.9550 CB :: 16.2200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0520 HA :: 4.2560 HB1 :: 1.3620 HB2 :: 1.3620 HB3 :: 1.3620 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7080 Ave N Shift Values>> N :: 123.23(3.54) 1.G175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.18 K 0.15 D 0.11 F 0.08 Y 0.05 C 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 171.4970 CA :: 42.5490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2700 HA2 :: 3.8770 HA3 :: 3.8770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3880 Ave N Shift Values>> N :: 109.67(3.87) 1.H176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 R 0.18 C 0.15 Q 0.06 K 0.06 H 0.05 W 0.03 P 0.03 E 0.01 HN Overlap>> 1.S98 1.S98 C Shift Assignments>> C :: 173.8630 CA :: 52.8130 CB :: 26.4330 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.1490 HA :: 4.5940 HB2 :: 3.1780 HB3 :: 2.9320 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.6990 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.22 C 0.12 Q 0.1 H 0.07 W 0.05 K 0.03 E 0.02 C Shift Assignments>> C :: 173.3460 CA :: 54.1210 CB :: 26.9330 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5230 HA :: 4.2480 HB2 :: 1.9300 HB3 :: 1.9300 HG2 :: 2.2330 HG3 :: 2.2330 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.0370 Ave N Shift Values>> N :: 120.67(3.48) 1.L178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.22 C 0.07 L 0.05 F 0.04 Y 0.03 HN Overlap>> 1.R124 1.D70 1.R195 1.R191 1.R124 1.D70 1.R195 1.R191 C Shift Assignments>> C :: 173.3490 CA :: 51.8440 CB :: 39.4410 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1100 HA :: 4.3340 HB2 :: 1.5870 HB3 :: 1.5870 HD11 :: 0.8460 HD12 :: 0.8460 HD13 :: 0.8460 HD21 :: 0.8460 HD22 :: 0.8460 HD23 :: 0.8460 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.2540 Ave N Shift Values>> N :: 121.86(3.9) 1.Q179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.37 L 0.25 C 0.13 R 0.09 K 0.05 Q 0.02 H 0.02 W 0.01 HN Overlap>> 1.K128 1.K128 C Shift Assignments>> C :: 173.3400 CA :: 51.7190 CB :: 26.0630 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0490 HA :: 4.4750 HB2 :: 2.0920 HB3 :: 1.9630 HG2 :: 2.3550 HG3 :: 2.3550 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.7600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.33 C 0.24 W 0.13 K 0.05 E 0.05 V 0.04 H 0.03 R 0.03 Q 0.03 P 0.01 C Shift Assignments>> CA :: 61.4480 CB :: 29.0130 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.19 C 0.08 F 0.06 Y 0.06 L 0.05 C Shift Assignments>> C :: 174.5350 CA :: 52.9820 CB :: 38.9860 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9150 HA :: 4.2160 HB2 :: 1.6210 HB3 :: 1.6210 HG :: 1.6210 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.5690 Ave N Shift Values>> N :: 121.86(3.9) 1.A182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C 0.01 C Shift Assignments>> C :: 175.3520 CA :: 50.4670 CB :: 16.0340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9250 HA :: 4.2450 HB1 :: 1.4010 HB2 :: 1.4010 HB3 :: 1.4010 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5260 Ave N Shift Values>> N :: 123.23(3.54) 1.I183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.2 I 0.08 Y 0.07 V 0.06 M 0.06 K 0.06 Q 0.04 F 0.03 C Shift Assignments>> C :: 173.6590 CA :: 59.4890 CB :: 35.5020 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.6130 HA :: 4.0160 HB :: 1.9150 HG12 :: 1.5830 HG21 :: 0.8930 HG22 :: 0.8930 HG23 :: 0.8930 HD11 :: 0.8930 HD12 :: 0.8930 HD13 :: 0.8930 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.7020 Ave N Shift Values>> N :: 121.46(4.28) 1.V184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 I 0.13 E 0.1 K 0.08 R 0.07 H 0.07 Q 0.07 V 0.03 M 0.01 C Shift Assignments>> C :: 173.2290 CA :: 60.0870 CB :: 29.5110 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.5590 HA :: 4.0130 HB :: 2.1380 HG11 :: 0.9310 HG12 :: 0.9310 HG13 :: 0.9310 HG21 :: 0.9310 HG22 :: 0.9310 HG23 :: 0.9310 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.4670 Ave N Shift Values>> N :: 121.14(4.54) 1.D185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.23 M 0.12 E 0.11 Y 0.04 F 0.03 K 0.02 Q 0.01 D 0.01 HN Overlap>> 1.D161 1.F162 1.W135 1.D161 1.F162 1.W135 C Shift Assignments>> C :: 173.3040 CA :: 52.9510 CB :: 36.3800 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9540 HA :: 4.6620 HB2 :: 2.6480 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.0580 Ave N Shift Values>> N :: 120.65(3.86) 1.Q186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 R 0.17 C 0.15 K 0.06 P 0.06 Q 0.05 H 0.04 W 0.03 C Shift Assignments>> C :: 174.1290 CA :: 52.5670 CB :: 26.3480 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.9630 HB2 :: 2.1740 HB3 :: 1.9340 HG2 :: 2.3240 HG3 :: 2.3240 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.4370 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 L 0.26 C 0.12 Q 0.04 H 0.04 W 0.03 K 0.01 R 0.01 HN Overlap>> 1.K171 1.K171 C Shift Assignments>> C :: 174.0360 CA :: 51.7930 CB :: 26.8770 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0370 HA :: 4.1520 HB2 :: 1.7400 HB3 :: 1.7400 HG2 :: 1.7400 HG3 :: 1.7400 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.4710 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.27 C 0.24 W 0.14 E 0.06 K 0.06 V 0.04 H 0.04 R 0.04 Q 0.04 P 0.01 C Shift Assignments>> CA :: 61.1410 CB :: 29.1640 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.S189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S150 1.S150 C Shift Assignments>> C :: 172.2680 CA :: 55.5760 CB :: 61.1520 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1500 HA :: 4.3990 HB2 :: 3.8340 HB3 :: 3.8340 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.1400 Ave N Shift Values>> N :: 116.28(3.52) 1.S190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.1170 CA :: 55.9560 CB :: 61.4390 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2000 HA :: 4.4910 HB2 :: 3.8950 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.5680 Ave N Shift Values>> N :: 116.28(3.52) 1.R191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.16 Q 0.13 H 0.1 W 0.07 K 0.06 R 0.04 E 0.03 M 0.01 HN Overlap>> 1.L178 1.R124 1.R195 1.L178 1.R124 1.R195 C Shift Assignments>> C :: 173.6450 CA :: 53.4190 CB :: 27.3670 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1280 HA :: 4.2940 HB2 :: 1.7650 HB3 :: 1.7650 HG2 :: 1.7650 HG3 :: 1.7650 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.2240 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C 0.01 C Shift Assignments>> C :: 175.2970 CA :: 50.3250 CB :: 16.1550 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1370 HA :: 4.2720 HB1 :: 1.3940 HB2 :: 1.3940 HB3 :: 1.3940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8930 Ave N Shift Values>> N :: 123.23(3.54) 1.S193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S197 1.S131 1.S197 1.S131 C Shift Assignments>> C :: 172.2420 CA :: 55.6540 CB :: 60.9470 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0390 HA :: 4.4740 HB2 :: 3.8610 HB3 :: 3.8610 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.0400 Ave N Shift Values>> N :: 116.28(3.52) 1.S194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S97 1.S97 C Shift Assignments>> C :: 172.1170 CA :: 55.9570 CB :: 60.8270 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1600 HA :: 4.4940 HB2 :: 3.8980 HB3 :: 3.8980 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.4050 Ave N Shift Values>> N :: 116.28(3.52) 1.R195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 C 0.15 Q 0.15 H 0.11 K 0.08 W 0.08 R 0.05 E 0.04 M 0.01 HN Overlap>> 1.L178 1.R124 1.D70 1.L178 1.R124 1.D70 1.R191 1.R191 C Shift Assignments>> C :: 173.6450 CA :: 53.4790 CB :: 27.6380 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1490 HA :: 4.0870 HB2 :: 1.6420 HB3 :: 1.6420 HG2 :: 1.6420 HG3 :: 1.6420 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.2840 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C 0.01 HN Overlap>> 1.A130 1.A130 C Shift Assignments>> C :: 175.0950 CA :: 50.2160 CB :: 16.2420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1230 HA :: 4.2440 HB1 :: 1.3600 HB2 :: 1.3600 HB3 :: 1.3600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0660 Ave N Shift Values>> N :: 123.23(3.54) 1.S197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S193 1.S193 1.S131 1.S131 C Shift Assignments>> C :: 171.7880 CA :: 55.7650 CB :: 60.9840 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0600 HA :: 4.4790 HB2 :: 3.8650 HB3 :: 3.8650 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.9610 Ave N Shift Values>> N :: 116.28(3.52) 1.S198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.1430 CA :: 55.5830 CB :: 61.0290 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1030 HA :: 4.4640 HB2 :: 3.8560 HB3 :: 3.8560 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.2280 Ave N Shift Values>> N :: 116.28(3.52) 1.R199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 L 0.11 C 0.08 H 0.03 Q 0.03 W 0.02 K 0.01 R 0.01 C Shift Assignments>> C :: 171.2560 CA :: 51.2590 CB :: 27.4060 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0460 HA :: 4.3980 HB2 :: 1.8190 HB3 :: 1.8190 HG2 :: 1.6860 HG3 :: 1.6860 HD2 :: 3.1880 HD3 :: 3.1880 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.0160 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.21 I 0.18 W 0.16 E 0.09 K 0.09 H 0.06 Q 0.06 R 0.06 V 0.02 M 0.01 C Shift Assignments>> C :: 173.6230 CA :: 60.2460 CB :: 29.0760 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.R201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.77 C 0.06 L 0.06 H 0.02 Q 0.02 W 0.01 K 0.01 R 0.01 C Shift Assignments>> C :: 172.1670 CA :: 50.8920 CB :: 27.7420 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3130 HA :: 4.3240 HB2 :: 1.8790 HB3 :: 1.7900 HG2 :: 1.7130 HG3 :: 1.7130 HD2 :: 3.2080 HD3 :: 3.2080 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.5150 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.26 C 0.23 W 0.15 K 0.07 E 0.07 H 0.05 R 0.05 Q 0.04 V 0.03 C Shift Assignments>> CA :: 60.8490 CB :: 29.0120 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.D203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 C 0.11 D 0.07 Y 0.03 F 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 173.3040 CA :: 51.6280 CB :: 37.9220 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2500 HA :: 4.4950 HB2 :: 2.6140 HB3 :: 2.6140 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.1080 Ave N Shift Values>> N :: 120.65(3.86) 1.D204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 C 0.11 D 0.08 Y 0.03 F 0.03 L 0.01 M 0.01 C Shift Assignments>> C :: 173.4440 CA :: 51.6650 CB :: 38.0300 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0000 HA :: 4.5640 HB2 :: 2.6530 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.1980 Ave N Shift Values>> N :: 120.65(3.86) 1.L205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.26 L 0.07 C 0.06 F 0.05 Y 0.04 HN Overlap>> 1.W135 1.W135 C Shift Assignments>> C :: 174.2120 CA :: 52.1420 CB :: 39.6500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8730 HA :: 4.3110 HB2 :: 1.5960 HB3 :: 1.5960 HG :: 1.5960 HD11 :: 0.8520 HD12 :: 0.8520 HD13 :: 0.8520 HD21 :: 0.8520 HD22 :: 0.8520 HD23 :: 0.8520 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.1830 Ave N Shift Values>> N :: 121.86(3.9) 1.E206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.2 C 0.13 Q 0.11 H 0.08 W 0.05 K 0.04 E 0.02 M 0.01 HN Overlap>> 1.E132 1.E132 C Shift Assignments>> C :: 172.3790 CA :: 53.4850 CB :: 27.2390 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1620 HA :: 4.3140 HB2 :: 2.0400 HB3 :: 1.9010 HG2 :: 2.2200 HG3 :: 2.2160 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.0470 Ave N Shift Values>> N :: 120.67(3.48) 1.I207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 I 0.23 Y 0.16 E 0.15 F 0.1 M 0.02 V 0.01 K 0.01 C Shift Assignments>> C :: 172.3790 CA :: 59.9580 CB :: 36.8490 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.4970 HA :: 4.0650 HB :: 2.2030 HG12 :: 1.4320 HG13 :: 1.7810 HG21 :: 0.8460 HG22 :: 0.8460 HG23 :: 0.8460 HD11 :: 0.8460 HD12 :: 0.8460 HD13 :: 0.8460 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.6870 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 205 #Clerical: 2 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 146 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 61 Shift Relative Order (SRO) Results: #Consistent: 207 #Suspicious: 0 C Shift Results: #Consistent: 413 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 716 #Duplicate: 0 #Unknown: 6 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 132 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K83 HZ1 = 7.8420(U) 1.K83 HZ2 = 7.8420(U) 1.K83 HZ3 = 7.8420(U) 1.K89 HZ1 = 7.7610(U) 1.K89 HZ2 = 7.7610(U) 1.K89 HZ3 = 7.7610(U)