Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 176.1600 CA :: 63.9000 CB :: 64.1300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> CA :: 56.1750 CB :: 30.4000 CD2 :: 120.3500 CE1 :: 137.6950 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 :: 7.9960 HA :: 4.8500 HB2 :: 3.3000 HB3 :: 3.3710 HD2 :: 7.3400 HE1 :: 8.4050 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 :: 127.1580 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 A 0.15 V 0.01 C Shift Assignments>> C :: 176.3200 CA :: 56.4410 CB :: 33.3160 CE :: 17.5500 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 :: 8.4740 HA :: 4.4650 HB2 :: 2.0680 HB3 :: 2.1350 HE1 :: 2.2300 HE2 :: 2.2300 HE3 :: 2.2300 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 :: 122.5420 Ave N Shift Values>> N :: 120.09(3.57) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 M 0.21 K 0.04 Q 0.03 C Shift Assignments>> C :: 176.2600 CA :: 56.6210 CB :: 30.7300 CG :: 36.7400 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 :: 8.3750 HA :: 4.4250 HB2 :: 2.0200 HB3 :: 2.1360 HG2 :: 2.3600 HG3 :: 2.4070 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 :: 123.0790 Ave N Shift Values>> N :: 120.67(3.48) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.6700 CA :: 58.0000 CB :: 39.5000 CD1 :: 133.5930 CD2 :: 133.5930 CE1 :: 118.4740 CE2 :: 118.4740 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 :: 8.2610 HA :: 4.7300 HB2 :: 3.1100 HB3 :: 3.2000 HD1 :: 7.2950 HD2 :: 7.2950 HE1 :: 6.9800 HE2 :: 6.9800 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 :: 121.2530 Ave N Shift Values>> N :: 120.52(4.2) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.28 K 0.17 F 0.09 Y 0.06 R 0.04 HN Overlap>> 1.E13 1.E13 C Shift Assignments>> C :: 176.7100 CA :: 54.4000 CB :: 41.6490 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 :: 8.3760 HA :: 4.7430 HB2 :: 2.8100 HB3 :: 2.8100 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 :: 123.4010 Ave N Shift Values>> N :: 120.65(3.86) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 HN Overlap>> 1.G25 1.G25 C Shift Assignments>> C :: 174.1300 CA :: 46.0000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7850 HA2 :: 4.1660 HA3 :: 4.1660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0920 Ave N Shift Values>> N :: 109.67(3.87) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.71 E 0.28 C Shift Assignments>> C :: 176.4400 CA :: 56.6200 CB :: 30.4500 CG :: 34.3000 CD :: 180.0530 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 :: 8.2510 HA :: 4.4700 HB2 :: 2.1200 HB3 :: 2.2640 HG2 :: 2.5200 HG3 :: 2.5200 HE21 :: 7.7000 HE22 :: 6.9430 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 :: 120.1930 NE2 :: 112.9560 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 R 0.38 G 0.06 C Shift Assignments>> C :: 176.9100 CA :: 55.7130 CB :: 43.1020 CG :: 27.9180 CD1 :: 26.3740 CD2 :: 24.3160 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 :: 8.6830 HA :: 4.4110 HB2 :: 1.6940 HB3 :: 1.9530 HG :: 1.9120 HD11 :: 1.0350 HD12 :: 1.0350 HD13 :: 1.0350 HD21 :: 0.9280 HD22 :: 0.9280 HD23 :: 0.9280 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 :: 123.7980 Ave N Shift Values>> N :: 121.86(3.9) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.21 D 0.21 K 0.1 F 0.05 Y 0.03 G 0.02 C Shift Assignments>> C :: 176.7300 CA :: 54.1500 CB :: 42.8000 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 :: 7.9100 HA :: 4.8300 HB2 :: 3.1100 HB3 :: 3.3200 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 :: 122.6910 Ave N Shift Values>> N :: 120.65(3.86) 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 :: 176.9700 CA :: 62.2660 CB :: 63.6400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8450 HA :: 4.4600 HB2 :: 4.1450 HB3 :: 4.1450 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 :: 119.0540 Ave N Shift Values>> N :: 116.28(3.52) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.86 K 0.06 M 0.05 Q 0.01 HN Overlap>> 1.D7 1.D7 C Shift Assignments>> C :: 179.9250 CA :: 59.5660 CB :: 29.9440 CG :: 37.0000 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 :: 8.4340 HA :: 4.2900 HB2 :: 1.9300 HB3 :: 2.1440 HG2 :: 2.2600 HG3 :: 2.5400 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 :: 123.3880 Ave N Shift Values>> N :: 120.67(3.48) 1.W14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.93 H 0.06 C Shift Assignments>> C :: 179.1000 CA :: 62.1000 CB :: 31.3000 CD1 :: 127.3810 CE3 :: 120.8180 CZ2 :: 114.4900 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 :: 8.6850 HA :: 4.7200 HB2 :: 3.3800 HB3 :: 3.4170 HD1 :: 7.5460 HE1 :: 10.4110 HE3 :: 7.5550 HZ2 :: 7.5340 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 :: 121.4110 NE1 :: 129.0790 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.9 K 0.04 M 0.03 C Shift Assignments>> C :: 178.1000 CA :: 61.1110 CB :: 30.0000 CG :: 37.2850 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 :: 8.7530 HA :: 3.9720 HB2 :: 2.2760 HB3 :: 2.2760 HG2 :: 2.2780 HG3 :: 2.5240 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 :: 118.9490 Ave N Shift Values>> N :: 120.67(3.48) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.45 G 0.05 C Shift Assignments>> C :: 179.1500 CA :: 60.6020 CB :: 33.0660 CG :: 26.1170 CD :: 29.9770 CE :: 42.5880 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 :: 7.8600 HA :: 4.1090 HB2 :: 2.1540 HB3 :: 2.1540 HG2 :: 1.6380 HG3 :: 1.7810 HD2 :: 1.8790 HD3 :: 1.8790 HE2 :: 3.1590 HE3 :: 3.1590 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 :: 119.2640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 L 0.41 G 0.02 K 0.02 C Shift Assignments>> C :: 179.1500 CA :: 58.8010 CB :: 42.3300 CG :: 28.4330 CD1 :: 26.3740 CD2 :: 24.3160 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 :: 4.2710 HB2 :: 1.6980 HB3 :: 2.3640 HG :: 1.9660 HD11 :: 0.7790 HD12 :: 0.7790 HD13 :: 0.7790 HD21 :: 1.0840 HD22 :: 1.0840 HD23 :: 1.0840 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 :: 120.5860 Ave N Shift Values>> N :: 121.86(3.9) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.5900 CA :: 67.3780 CB :: 31.1880 CG1 :: 23.6400 CG2 :: 24.6590 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 :: 8.4800 HA :: 3.5520 HB :: 2.2760 HG11 :: 0.8190 HG12 :: 0.8190 HG13 :: 0.8190 HG21 :: 1.1270 HG22 :: 1.1270 HG23 :: 1.1270 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 :: 119.6560 Ave N Shift Values>> N :: 121.14(4.54) 1.R19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.57 R 0.37 K 0.05 C Shift Assignments>> C :: 179.4700 CA :: 60.7000 CB :: 29.9000 CG :: 29.1900 CD :: 43.8400 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 :: 8.4000 HA :: 4.1000 HB2 :: 2.0230 HB3 :: 2.0230 HG2 :: 1.9250 HG3 :: 1.9250 HD2 :: 3.1900 HD3 :: 3.3000 HE :: 7.7000 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 :: 120.9910 NE :: 92.6210(S) 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.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 L 0.17 D 0.15 K 0.13 C Shift Assignments>> C :: 179.2500 CA :: 57.2000 CB :: 40.8000 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 :: 8.4440 HA :: 4.5020 HB2 :: 2.8800 HB3 :: 2.9860 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 :: 121.8250 Ave N Shift Values>> N :: 120.65(3.86) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 A 0.23 C Shift Assignments>> C :: 179.8600 CA :: 55.8750 CB :: 17.6000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5100 HA :: 3.8710 HB1 :: 1.2300 HB2 :: 1.2300 HB3 :: 1.2300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0350 Ave N Shift Values>> N :: 123.23(3.54) 1.M22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.99 C Shift Assignments>> C :: 179.9500 CA :: 59.9500 CB :: 34.1000 CG :: 31.6210 CE :: 16.7210 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 :: 8.5880 HA :: 4.1000 HB2 :: 2.1100 HB3 :: 2.2200 HG2 :: 2.4250 HG3 :: 2.5900 HE1 :: 2.0340 HE2 :: 2.0340 HE3 :: 2.0340 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 :: 118.2100 Ave N Shift Values>> N :: 120.09(3.57) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.4100 CA :: 65.2000 CB :: 69.7000 CG2 :: 22.2500 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 :: 8.3800 HA :: 4.3050 HB :: 4.5450 HG21 :: 1.4620 HG22 :: 1.4620 HG23 :: 1.4620 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 :: 113.8150 Ave N Shift Values>> N :: 115.42(4.75) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7200 CA :: 60.3000 CB :: 64.4000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0300 HA :: 4.5640 HB2 :: 4.0200 HB3 :: 4.1490 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 :: 116.5370 Ave N Shift Values>> N :: 116.28(3.52) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 HN Overlap>> 1.G8 1.G8 C Shift Assignments>> C :: 175.0300 CA :: 46.2330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8690 HA2 :: 4.0100 HA3 :: 4.2800 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0580 Ave N Shift Values>> N :: 109.67(3.87) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.8300 CA :: 62.8990 CB :: 32.5000 CG1 :: 22.3140 CG2 :: 22.1000 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 :: 8.0380 HA :: 4.3000 HB :: 2.2700 HG11 :: 1.3500 HG12 :: 1.3500 HG13 :: 1.3500 HG21 :: 1.0600 HG22 :: 1.0600 HG23 :: 1.0600 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 :: 121.3590 Ave N Shift Values>> N :: 121.14(4.54) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 175.8650 CA :: 57.8000 CB :: 65.8300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8170 HA :: 4.9450 HB2 :: 4.2350 HB3 :: 4.5800 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 :: 122.1750 Ave N Shift Values>> N :: 116.28(3.52) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 V 0.14 M 0.13 W 0.12 R 0.12 H 0.09 Q 0.08 E 0.07 C Shift Assignments>> C :: 179.1400 CA :: 59.0000 CB :: 32.5140 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 :: 8.8350 HA :: 4.1700 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 :: 125.4470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.46 G 0.04 C Shift Assignments>> C :: 179.2700 CA :: 60.2000 CB :: 33.5800 CG :: 25.8600 CD :: 30.2350 CE :: 42.5880 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 :: 8.1080 HA :: 4.1800 HB2 :: 1.9940 HB3 :: 2.1000 HG2 :: 1.6110 HG3 :: 1.6960 HD2 :: 1.8950 HD3 :: 1.8950 HE2 :: 3.2160 HE3 :: 3.2160 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 :: 119.6470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 Q 0.3 C Shift Assignments>> C :: 179.5300 CA :: 59.5660 CB :: 29.6130 CG :: 35.8300 CD :: 179.9330 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 :: 8.1550 HA :: 4.4450 HB2 :: 2.4170 HB3 :: 2.6790 HG2 :: 2.7640 HG3 :: 2.7640 HE21 :: 7.8110 HE22 :: 6.9450 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 :: 118.9380 NE2 :: 112.3750 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.82 F 0.17 C Shift Assignments>> C :: 177.0500 CA :: 61.5000 CB :: 40.4000 CD1 :: 130.7800 CD2 :: 130.7800 CZ :: 132.7730 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 :: 8.4420 HA :: 4.4700 HB2 :: 3.4450 HB3 :: 3.5000 HD1 :: 7.2330 HD2 :: 7.2330 HE1 :: 7.3600 HE2 :: 7.3600 HZ :: 6.8780 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 :: 121.4500 Ave N Shift Values>> N :: 120.45(4.18) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.18 K 0.04 C Shift Assignments>> C :: 177.9400 CA :: 60.2590 CB :: 30.0570 CG :: 27.5400 CD :: 43.4520 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 :: 8.7990 HA :: 4.0200 HB2 :: 2.1350 HB3 :: 2.2650 HG2 :: 1.8800 HG3 :: 1.9500 HD2 :: 3.3450 HD3 :: 3.4650 HE :: 7.4500 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 :: 120.5890 NE :: 89.4260 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.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.89 M 0.06 K 0.03 C Shift Assignments>> C :: 178.5900 CA :: 60.4000 CB :: 30.3000 CG :: 37.5500 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 :: 8.2260 HA :: 4.4430 HB2 :: 2.4800 HB3 :: 2.4800 HG2 :: 2.6900 HG3 :: 2.8450 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 :: 119.4190 Ave N Shift Values>> N :: 120.67(3.48) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 F 0.28 C Shift Assignments>> C :: 177.2900 CA :: 57.6500 CB :: 39.5660 CD1 :: 133.2410 CD2 :: 133.2410 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 :: 7.8890 HA :: 4.7830 HB2 :: 3.1100 HB3 :: 3.2000 HD1 :: 7.2890 HD2 :: 7.2890 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 :: 121.6700 Ave N Shift Values>> N :: 120.45(4.18) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.14 G 0.02 C Shift Assignments>> C :: 178.9900 CA :: 58.5440 CB :: 42.3300 CG :: 27.4040 CD1 :: 25.3450 CD2 :: 25.3450 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 :: 8.5500 HA :: 3.7950 HB2 :: 1.7470 HB3 :: 1.8650 HG :: 1.7500 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 :: 120.7710 Ave N Shift Values>> N :: 121.86(3.9) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.3 L 0.12 K 0.11 D 0.08 C Shift Assignments>> C :: 179.2850 CA :: 58.1300 CB :: 40.6870 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 :: 8.8080 HA :: 4.5550 HB2 :: 3.0500 HB3 :: 3.2450 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 :: 121.6380 Ave N Shift Values>> N :: 120.65(3.86) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.3100 CA :: 60.3400 CB :: 37.4250 CD1 :: 133.7100 CD2 :: 133.7100 CE1 :: 118.0060 CE2 :: 118.0060 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 :: 8.0890 HA :: 3.5830 HB2 :: 2.4900 HB3 :: 2.8380 HD1 :: 6.3400 HD2 :: 6.3400 HE1 :: 6.8640 HE2 :: 6.8640 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 :: 123.1820 Ave N Shift Values>> N :: 120.52(4.2) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.98 E 0.01 C Shift Assignments>> C :: 179.4100 CA :: 58.1000 CB :: 27.3500 CG :: 33.3000 CD :: 178.1010 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 :: 8.0800 HA :: 3.5510 HB2 :: 1.8400 HB3 :: 2.1150 HG2 :: 1.7290 HG3 :: 1.9620 HE21 :: 7.2940 HE22 :: 6.0740 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 :: 117.7910 NE2 :: 113.6820 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.48 G 0.02 C Shift Assignments>> C :: 175.6500 CA :: 60.8600 CB :: 33.0660 CG :: 26.3740 CD :: 30.2350 CE :: 42.0730 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 :: 8.5650 HA :: 4.0010 HB2 :: 2.1120 HB3 :: 2.1120 HG2 :: 1.5620 HG3 :: 1.8170 HD2 :: 1.8710 HD3 :: 1.8710 HE2 :: 3.0790 HE3 :: 3.1430 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 :: 120.4400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 179.3400 CA :: 61.9000 CB :: 28.3160 CD1 :: 125.1550 CE3 :: 121.9900 CZ2 :: 115.5000 CZ3 :: 121.2870 CH2 :: 121.6390 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 :: 8.0780 HA :: 4.0690 HB2 :: 3.2100 HB3 :: 3.4500 HD1 :: 7.4500 HE1 :: 9.8080 HE3 :: 7.2350 HZ2 :: 7.6660 HZ3 :: 6.4970 HH2 :: 6.5000 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 :: 123.3770 NE1 :: 129.8050 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.8 G 0.12 K 0.05 C Shift Assignments>> C :: 179.0100 CA :: 59.5600 CB :: 30.0590 CG :: 27.3000 CD :: 43.3160 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 :: 8.6620 HA :: 3.2800 HB2 :: 1.6380 HB3 :: 1.6830 HG2 :: 1.4700 HG3 :: 1.4700 HD2 :: 2.9780 HD3 :: 3.0320 HE :: 7.4950 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 :: 120.8710 NE :: 93.3480(S) 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.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.32 G 0.03 C Shift Assignments>> C :: 177.8200 CA :: 58.8010 CB :: 32.8080 CG :: 25.3450 CD :: 29.7200 CE :: 42.5880 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 :: 7.6960 HA :: 4.1800 HB2 :: 2.0340 HB3 :: 2.0340 HG2 :: 1.6550 HG3 :: 1.7000 HD2 :: 1.8520 HD3 :: 1.8520 HE2 :: 3.1990 HE3 :: 3.1990 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 :: 118.4520 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7100 CA :: 58.6300 CB :: 64.3000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6000 HA :: 4.6640 HB2 :: 3.9950 HB3 :: 3.9950 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 :: 114.2630 Ave N Shift Values>> N :: 116.28(3.52) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.92 E 0.07 C Shift Assignments>> C :: 174.7200 CA :: 55.4540 CB :: 29.1660 CG :: 33.3000 CD :: 180.0530 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 :: 7.4150 HA :: 4.1400 HB2 :: 1.6840 HB3 :: 1.9650 HG2 :: 1.5280 HG3 :: 1.7370 HE21 :: 6.5480 HE22 :: 6.4370 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 :: 120.6040 NE2 :: 113.6820 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.36 G 0.02 C Shift Assignments>> C :: 175.9800 CA :: 56.7420 CB :: 33.5800 CG :: 25.3450 CD :: 29.7200 CE :: 42.5880 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 :: 7.9540 HA :: 4.4100 HB2 :: 1.8730 HB3 :: 1.9700 HG2 :: 1.4940 HG3 :: 1.5400 HD2 :: 1.7990 HD3 :: 1.7990 HE2 :: 3.1110 HE3 :: 3.1110 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 :: 121.1820 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.24 Q 0.02 K 0.02 C Shift Assignments>> C :: 175.6500 CA :: 56.6430 CB :: 31.0000 CG :: 36.8100 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 :: 8.5750 HA :: 4.4200 HB2 :: 2.1920 HB3 :: 2.0150 HG2 :: 2.3520 HG3 :: 2.3520 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 :: 122.7190 Ave N Shift Values>> N :: 120.67(3.48) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.26 Q 0.02 C Shift Assignments>> C :: 180.9300 CA :: 58.6050 CB :: 31.6490 CG :: 36.6430 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 :: 8.0230 HA :: 4.2620 HB2 :: 2.0210 HB3 :: 2.1780 HG2 :: 2.3320 HG3 :: 2.3320 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 :: 127.5400 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 45 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 46 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 47 #Suspicious: 0 C Shift Results: #Consistent: 210 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 312 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 52 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.R19 NE = 92.6210(S), Expected = 84.63, Std = 1.6800, ChiSquare = 1.9693e-06 1.R41 NE = 93.3480(S), Expected = 84.63, Std = 1.6800, ChiSquare = 2.1110e-07