Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 M 0.07 C Shift Assignments>> CA :: 63.4400 CB :: 32.1900 CG :: 32.4500 CE :: 16.9600 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>> HA :: 4.4200 HB2 :: 2.2600 HB3 :: 1.9100 HG2 :: 2.7500 HG3 :: 2.5400 HE1 :: 2.1100 HE2 :: 2.1100 HE3 :: 2.1100 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) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.1300 CB :: 69.2500 CG2 :: 21.7800 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 :: 8.0900 HA :: 4.2400 HB :: 4.2000 HG21 :: 1.1800 HG22 :: 1.1800 HG23 :: 1.1800 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 :: 113.5700 Ave N Shift Values>> N :: 115.42(4.75) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.12 Q 0.04 K 0.04 I 0.02 C Shift Assignments>> CA :: 56.8600 CB :: 30.5700 CG :: 36.3500 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 :: 8.2800 HA :: 4.2800 HB2 :: 1.9200 HB3 :: 2.0100 HG2 :: 2.2200 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 :: 122.8800 Ave N Shift Values>> N :: 120.67(3.48) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.33 K 0.22 G 0.01 C Shift Assignments>> CA :: 55.8700 CB :: 31.6400 CG :: 27.5000 CD :: 42.6600 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 :: 8.2800 HA :: 4.3000 HB2 :: 1.8100 HB3 :: 1.6400 HG2 :: 1.4700 HG3 :: 1.5800 HD2 :: 3.2000 HD3 :: 3.0700 HE :: 6.2000 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 :: 121.3300 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.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.37 C 0.18 C Shift Assignments>> CA :: 56.3800 CB :: 39.5600 CD1 :: 131.6100 CD2 :: 131.6100 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 :: 8.2900 HA :: 4.6100 HB2 :: 2.4000 HB3 :: 2.5700 HD1 :: 6.7600 HD2 :: 6.7600 HE1 :: 7.2800 HE2 :: 7.2800 HZ :: 6.7600 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 :: 125.4900 Ave N Shift Values>> N :: 120.45(4.18) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.09 D 0.07 C 0.03 F 0.01 C Shift Assignments>> CA :: 52.1800 CB :: 44.2100 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 :: 7.9400 HA :: 5.0450 HB2 :: 2.0700 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 :: 123.2600 Ave N Shift Values>> N :: 120.65(3.86) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.16 E 0.1 R 0.1 V 0.1 H 0.08 K 0.06 Q 0.05 M 0.04 I 0.03 P 0.01 HN Overlap>> 1.N73 1.N73 C Shift Assignments>> CA :: 59.8200 CB :: 30.9500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.7000 HA :: 3.9600 HB2 :: 3.3600 HB3 :: 2.7800 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 :: 121.4400 Ave N Shift Values>> N :: 120.17(4.64) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.14 E 0.14 K 0.12 Q 0.12 H 0.11 R 0.1 I 0.04 M 0.03 V 0.01 C Shift Assignments>> CA :: 58.2400 CB :: 29.4800 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 :: 9.1600 HA :: 4.2000 HB2 :: 2.3150 HB3 :: 2.7500 HD2 :: 7.5800 HE1 :: 7.2400 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 :: 129.3900 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.18 W 0.15 R 0.13 E 0.12 H 0.11 K 0.08 M 0.07 Q 0.06 V 0.04 I 0.01 C Shift Assignments>> CA :: 58.6800 CB :: 31.0400 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 :: 9.2700 HA :: 4.8800 HB2 :: 4.3200(S) HB3 :: 3.0950 HD2 :: 7.7200 HE1 :: 7.2400 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 :: 118.7400 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.15 K 0.12 W 0.1 R 0.08 M 0.07 H 0.06 E 0.06 Q 0.04 P 0.01 C Shift Assignments>> CA :: 59.6000 CB :: 32.3300 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5500 HA :: 4.6000 HB2 :: 2.7100 HB3 :: 3.2600 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 :: 118.6000 Ave N Shift Values>> N :: 120.17(4.64) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 N 0.19 C 0.17 F 0.17 D 0.08 E 0.05 L 0.03 I 0.03 M 0.02 C Shift Assignments>> CA :: 55.6400 CB :: 38.2000 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 :: 7.6900 HA :: 4.4100 HB2 :: 2.8500 HB3 :: 2.9900 HD21 :: 7.3200 HD22 :: 6.5600 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 :: 116.2200 ND2 :: 112.1100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.39 M 0.13 I 0.02 Q 0.01 K 0.01 HN Overlap>> 1.K18 1.K18 C Shift Assignments>> CA :: 56.7000 CB :: 30.9100 CG :: 36.7600 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 :: 8.2100 HA :: 4.2200 HB2 :: 2.0200 HG2 :: 2.4450 HG3 :: 2.3000 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 :: 120.3300 Ave N Shift Values>> N :: 120.67(3.48) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.3500 CB :: 63.8200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5200 HA :: 4.0600 HB2 :: 3.8900 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 :: 116.1900 Ave N Shift Values>> N :: 116.28(3.52) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.23 A 0.07 R 0.04 G 0.01 HN Overlap>> 1.K57 1.K57 C Shift Assignments>> CA :: 54.1000 CB :: 42.2000 CG :: 26.4200 CD1 :: 22.9600 CD2 :: 25.7600 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 :: 8.9100 HA :: 4.3100 HB2 :: 1.2400 HB3 :: 0.8700 HG :: 1.4200 HD11 :: 0.7500 HD12 :: 0.7500 HD13 :: 0.7500 HD21 :: -0.0300 HD22 :: -0.0300 HD23 :: -0.0300 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 :: 126.0600 Ave N Shift Values>> N :: 121.86(3.9) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.33 C 0.26 C Shift Assignments>> CA :: 60.4000 CB :: 38.1300 CD1 :: 131.3000 CD2 :: 131.3000 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 :: 7.8200 HA :: 4.4800 HB2 :: 3.0500 HB3 :: 3.0000 HD1 :: 7.3000 HE1 :: 6.8700 HE2 :: 6.8700 HZ :: 6.7400 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 :: 120.6600 Ave N Shift Values>> N :: 120.45(4.18) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.9000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8600 HA2 :: 3.6600 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 :: 114.7300 Ave N Shift Values>> N :: 109.67(3.87) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 K 0.33 Q 0.02 E 0.01 C Shift Assignments>> CA :: 54.4600 CB :: 35.8000 CG :: 24.6800 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 :: 8.0300 HA :: 4.4800 HB2 :: 2.0000 HB3 :: 1.6800 HG2 :: 1.2900 HG3 :: 1.4300 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 :: 119.5800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.19 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> CA :: 56.8000 CB :: 33.0100 CG :: 25.5100 CD :: 29.3100 CE :: 42.3100 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 :: 8.1900 HA :: 4.2800 HB2 :: 1.6900 HG2 :: 1.2000 HG3 :: 1.4000 HD2 :: 1.6000 HE2 :: 2.7900 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 :: 120.3300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.2 G 0.08 C Shift Assignments>> CA :: 55.3400 CB :: 42.8500 CD1 :: 132.8200 CD2 :: 132.8200 CE1 :: 118.4600 CE2 :: 118.4600 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 :: 7.6100 HA :: 5.2400 HB2 :: 2.8000 HD1 :: 6.8900 HD2 :: 6.8900 HE1 :: 6.6400 HE2 :: 6.6400 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 :: 117.5000 Ave N Shift Values>> N :: 120.52(4.2) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.48 C Shift Assignments>> CA :: 60.0100 CB :: 41.5700 CG1 :: 28.1800 CG2 :: 18.6800 CD1 :: 13.6000 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 :: 9.3500 HA :: 4.1370 HB :: 1.2400 HG12 :: 0.7500 HG13 :: 1.0000 HG21 :: 0.2000 HG22 :: 0.2000 HG23 :: 0.2000 HD11 :: 0.4650 HD12 :: 0.4650 HD13 :: 0.4650 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 :: 121.4300 Ave N Shift Values>> N :: 121.46(4.28) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.21 G 0.15 R 0.06 A 0.03 C Shift Assignments>> CA :: 54.0200 CB :: 43.7200 CG :: 27.4900 CD1 :: 23.5200 CD2 :: 25.1000 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 :: 8.5300 HA :: 5.0900 HB2 :: 1.3400 HB3 :: 1.6700 HG :: 1.5800 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 HD21 :: 0.8900 HD22 :: 0.8900 HD23 :: 0.8900 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 :: 126.7200 Ave N Shift Values>> N :: 121.86(3.9) 1.R22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.17 G 0.02 C Shift Assignments>> CA :: 55.6000 CB :: 32.2800 CG :: 26.9500 CD :: 42.6000 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 :: 9.0800 HA :: 4.4400 HB2 :: 1.6800 HB3 :: 1.3800 HG2 :: 1.0500 HG3 :: 0.8300 HD2 :: 2.1450(S) HD3 :: 2.3800 HE :: 6.2000 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 :: 123.9300 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.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.23 I 0.22 K 0.03 Q 0.02 C Shift Assignments>> CA :: 58.0300 CB :: 27.2000 CG :: 36.5000 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 :: 9.6100 HA :: 3.8400 HB2 :: 2.0500 HB3 :: 2.1600 HG2 :: 2.1600 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 :: 128.5000 Ave N Shift Values>> N :: 120.67(3.48) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 I 0.25 K 0.04 Q 0.01 C Shift Assignments>> CA :: 58.3200 CB :: 28.2200 CG :: 36.9800 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 :: 8.6600 HA :: 3.7800 HB2 :: 2.2000 HG2 :: 2.1600 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 :: 110.3000 Ave N Shift Values>> N :: 120.67(3.48) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.5400 CB :: 64.7200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9000 HA :: 4.8900 HB2 :: 3.0800 HB3 :: 3.6400 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 :: 117.7000 Ave N Shift Values>> N :: 116.28(3.52) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.49 C Shift Assignments>> CA :: 61.7500 CB :: 32.6600 CG :: 25.9700 CD :: 50.2400 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) H Shift Assignments>> HA :: 4.9950 HB2 :: 1.2000 HB3 :: 1.4500 HG2 :: 2.1500 HG3 :: 1.4700 HD2 :: 3.5900 HD3 :: 3.4900 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.26 G 0.07 C Shift Assignments>> CA :: 56.8300 CB :: 42.8100 CD1 :: 133.6000 CD2 :: 133.6000 CE1 :: 118.6100 CE2 :: 118.6100 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 :: 9.0400 HA :: 5.9100 HB2 :: 3.3600 HD1 :: 7.3000 HD2 :: 7.3000 HE1 :: 6.8600 HE2 :: 6.8600 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 :: 118.1000 Ave N Shift Values>> N :: 120.52(4.2) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 E 0.14 R 0.14 H 0.13 Q 0.09 K 0.06 M 0.06 V 0.02 I 0.01 C Shift Assignments>> CA :: 58.1100 CB :: 30.5300 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.8500 HA :: 4.8500 HB2 :: 3.0100 HB3 :: 3.5850 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 :: 122.2300 Ave N Shift Values>> N :: 120.17(4.64) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> CA :: 67.4000 CB :: 31.8600 CG1 :: 21.4000 CG2 :: 21.4000 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 :: 8.4300 HA :: 3.6500 HB :: 2.0700 HG11 :: 0.9500 HG12 :: 0.9500 HG13 :: 0.9500 HG21 :: 0.9500 HG22 :: 0.9500 HG23 :: 0.9500 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 :: 118.2000 Ave N Shift Values>> N :: 121.14(4.54) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> CA :: 66.4500 CB :: 31.5400 CG1 :: 21.2700 CG2 :: 22.7100 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 :: 7.7000 HA :: 3.8600 HB :: 2.2600 HG11 :: 0.9600 HG12 :: 0.9600 HG13 :: 0.9600 HG21 :: 1.0800 HG22 :: 1.0800 HG23 :: 1.0800 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 :: 119.5700 Ave N Shift Values>> N :: 121.14(4.54) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 V 0.26 C 0.18 P 0.09 W 0.01 C Shift Assignments>> CA :: 65.8500 CB :: 29.5100 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.0500 HA :: 3.8300 HB2 :: 3.3200 HB3 :: 2.8800 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 :: 125.8900 Ave N Shift Values>> N :: 120.17(4.64) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.31 C 0.19 C Shift Assignments>> CA :: 62.6100 CB :: 39.9200 CD1 :: 131.2100 CD2 :: 131.2100 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 :: 9.0800 HA :: 3.7800 HB2 :: 3.2300 HB3 :: 3.1000 HD2 :: 6.8900 HE1 :: 7.1100 HE2 :: 7.1100 HZ :: 6.7600 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 :: 119.0000 Ave N Shift Values>> N :: 120.45(4.18) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 I 0.31 E 0.19 K 0.01 C Shift Assignments>> CA :: 59.2100 CB :: 29.4800 CG :: 37.9200 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 :: 8.5100 HA :: 3.7600 HB2 :: 2.2200 HB3 :: 1.9100 HG2 :: 2.8500 HG3 :: 2.1900 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 :: 117.4700 Ave N Shift Values>> N :: 120.67(3.48) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 65.8900 CB :: 69.2100 CG2 :: 21.1500 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 :: 7.8800 HA :: 3.7300 HB :: 4.0500 HG21 :: 1.0400 HG22 :: 1.0400 HG23 :: 1.0400 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 :: 114.1400 Ave N Shift Values>> N :: 115.42(4.75) 1.L35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.55 C 0.38 A 0.04 R 0.01 C Shift Assignments>> CA :: 56.8600 CB :: 41.8700 CG :: 26.5400 CD1 :: 24.7000 CD2 :: 21.6800 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 :: 7.6600 HA :: 3.6500 HB2 :: -0.4400(S) HB3 :: 0.3570 HG :: 1.0250 HD11 :: 0.0050 HD12 :: 0.0050 HD13 :: 0.0050 HD21 :: 0.1820 HD22 :: 0.1820 HD23 :: 0.1820 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 :: 117.9800 Ave N Shift Values>> N :: 121.86(3.9) 1.F36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.46 Y 0.35 C 0.17 C Shift Assignments>> CA :: 56.8600 CB :: 40.5700 CD1 :: 131.2100 CD2 :: 131.2100 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 :: 7.7300 HA :: 4.5970 HB2 :: 1.4780(S) HB3 :: 2.6800 HD1 :: 6.5300 HE1 :: 6.2600 HE2 :: 6.2600 HZ :: 6.7600 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 :: 113.9000 Ave N Shift Values>> N :: 120.45(4.18) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.07 C 0.02 L 0.01 HN Overlap>> 1.F66 1.F66 C Shift Assignments>> CA :: 52.9000 CB :: 19.7700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.0900 HA :: 4.0700 HB1 :: 1.3200 HB2 :: 1.3200 HB3 :: 1.3200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9200 Ave N Shift Values>> N :: 123.23(3.54) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.18 C 0.08 F 0.06 Y 0.06 L 0.05 HN Overlap>> 1.D50 1.D50 C Shift Assignments>> CA :: 52.8500 CB :: 38.9500 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 :: 8.7900 HA :: 4.4500 HB2 :: 2.1000 HB3 :: 2.0560 HD21 :: 7.6300 HD22 :: 6.5700 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 :: 119.2300 ND2 :: 113.4000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.1300 CB :: 69.9200 CG2 :: 21.6600 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 :: 8.5400 HA :: 3.9900 HB :: 3.6300 HG21 :: 0.8040 HG22 :: 0.8040 HG23 :: 0.8040 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 :: 116.3300 Ave N Shift Values>> N :: 115.42(4.75) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.13 R 0.12 K 0.12 H 0.1 E 0.1 M 0.1 Q 0.05 V 0.05 C Shift Assignments>> CA :: 58.3500 CB :: 31.6000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9400 HA :: 4.3000 HB2 :: 3.4100 HB3 :: 2.1890 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 :: 126.9500 Ave N Shift Values>> N :: 120.17(4.64) 1.E41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 E 0.39 M 0.07 I 0.06 K 0.03 Q 0.03 C Shift Assignments>> CA :: 58.6000 CB :: 30.4600 CG :: 36.3000 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 :: 8.8100 HA :: 3.6900 HB2 :: 1.3400 HB3 :: 1.0800(S) HG2 :: 2.0500 HG3 :: 1.6900 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 :: 130.5600 Ave N Shift Values>> N :: 120.67(3.48) 1.E42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.78 E 0.11 M 0.05 I 0.04 C Shift Assignments>> CA :: 58.0000 CB :: 31.6800 CG :: 38.6200 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 :: 8.5000 HA :: 4.5700 HB2 :: 2.3300 HB3 :: 2.5300 HG2 :: 2.6580 HG3 :: 3.0700(S) 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 :: 119.6800 Ave N Shift Values>> N :: 120.67(3.48) 1.C43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.13 R 0.12 K 0.11 E 0.1 H 0.1 M 0.09 V 0.07 Q 0.04 C Shift Assignments>> CA :: 58.8100 CB :: 31.5800 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1200 HA :: 5.0100 HB2 :: 3.0300 HB3 :: 3.3300 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 :: 115.6000 Ave N Shift Values>> N :: 120.17(4.64) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> CA :: 46.4200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9000 HA2 :: 4.0500 HA3 :: 3.8000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.1000 Ave N Shift Values>> N :: 109.67(3.87) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 C 0.22 Q 0.21 M 0.14 R 0.08 C Shift Assignments>> CA :: 54.3600 CB :: 32.4300 CD :: 29.2500 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 :: 8.1800 HA :: 4.8400 HD2 :: 1.4700 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 :: 121.2100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> CA :: 62.7000 CB :: 32.4900 CG :: 27.6000 CD :: 50.5500 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) H Shift Assignments>> HA :: 4.4770 HB2 :: 1.5600 HB3 :: 2.1500 HG2 :: 2.0100 HG3 :: 1.9200 HD2 :: 3.8400 HD3 :: 3.6000 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> CA :: 61.0400 CB :: 37.4400 CG1 :: 26.7200 CG2 :: 17.8900 CD1 :: 15.3400 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 :: 8.5400 HA :: 3.8300 HB :: 1.4670 HG12 :: -0.5200(S) HG13 :: 1.0000 HG21 :: 0.7660 HG22 :: 0.7660 HG23 :: 0.7660 HD11 :: 0.2000 HD12 :: 0.2000 HD13 :: 0.2000 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 :: 125.2800 Ave N Shift Values>> N :: 121.46(4.28) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.2400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6600 HA2 :: 4.0700 HA3 :: 3.9800 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.1200 Ave N Shift Values>> N :: 109.67(3.87) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.2 P 0.09 W 0.08 R 0.07 K 0.03 Q 0.03 E 0.03 H 0.02 L 0.01 C Shift Assignments>> CA :: 60.8800 CB :: 27.6500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.2100 HA :: 4.2800 HB2 :: 2.7600 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 :: 117.1400 Ave N Shift Values>> N :: 120.17(4.64) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.2 L 0.16 F 0.1 Y 0.08 C 0.06 K 0.02 HN Overlap>> 1.N38 1.N38 C Shift Assignments>> CA :: 54.1600 CB :: 40.3800 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 :: 8.8000 HA :: 4.6200 HB2 :: 2.7200 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 :: 119.3000 Ave N Shift Values>> N :: 120.65(3.86) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 R 0.13 H 0.12 Q 0.11 K 0.08 M 0.04 I 0.02 V 0.01 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> CA :: 58.0300 CB :: 30.0900 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.5900 HA :: 4.6200 HB2 :: 2.9900 HB3 :: 3.0500 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 :: 118.1500 Ave N Shift Values>> N :: 120.17(4.64) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.12 HN Overlap>> 1.C92 1.C92 C Shift Assignments>> CA :: 57.2400 CB :: 33.0300 CG :: 25.0900 CD :: 29.1600 CE :: 42.2000 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 :: 8.6000 HA :: 4.1800 HB2 :: 1.6800 HG2 :: 1.4500 HG3 :: 1.3200 HD2 :: 1.6700 HE2 :: 2.9000 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 :: 123.8000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.28 K 0.11 R 0.09 N 0.06 F 0.05 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> CA :: 53.1300 CB :: 42.2300 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 :: 4.2300 HB2 :: 2.4100 HB3 :: 2.8700 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 :: 124.9000 Ave N Shift Values>> N :: 120.65(3.86) 1.L54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.7 C 0.24 A 0.03 R 0.01 C Shift Assignments>> CA :: 53.3400 CB :: 41.1700 CG :: 27.9600 CD1 :: 25.4000 CD2 :: 23.7000 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 :: 8.6700 HA :: 4.4400 HB2 :: 0.4800(S) HB3 :: 1.2900 HG :: 1.3400 HD11 :: 0.6200 HD12 :: 0.6200 HD13 :: 0.6200 HD21 :: 0.5800 HD22 :: 0.5800 HD23 :: 0.5800 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 :: 130.1600 Ave N Shift Values>> N :: 121.86(3.9) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.59 T 0.4 C Shift Assignments>> CA :: 55.8500 CB :: 67.3000 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 :: 5.5800 HB2 :: 3.3300 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 :: 113.8200 Ave N Shift Values>> N :: 116.28(3.52) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> CA :: 58.8100 CB :: 41.0000 CD1 :: 133.2400 CD2 :: 133.2400 CE1 :: 118.5700 CE2 :: 118.5700 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 :: 8.4500 HA :: 4.6200 HB2 :: 3.1100 HB3 :: 2.9700 HD1 :: 7.2600 HD2 :: 7.2600 HE1 :: 6.4800 HE2 :: 6.4800 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 :: 122.6100 Ave N Shift Values>> N :: 120.52(4.2) 1.K57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 K 0.2 R 0.1 L 0.04 V 0.01 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> CA :: 58.1000 CB :: 29.4800 CG :: 24.6100 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 :: 8.9200 HA :: 3.4700 HB2 :: 1.4400 HB3 :: 1.6100 HG2 :: 0.5000(S) HG3 :: 0.7200 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 :: 126.0200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.28 N 0.17 L 0.14 F 0.14 Y 0.13 C 0.08 K 0.01 I 0.01 C Shift Assignments>> CA :: 54.9000 CB :: 40.0800 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 :: 8.4000 HA :: 3.8300 HB2 :: 2.8140 HB3 :: 2.7640 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) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.38 R 0.15 C Shift Assignments>> CA :: 55.5800 CB :: 33.4600 CG :: 27.0100 CD :: 44.6600 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 :: 7.9800 HA :: 4.2500 HB2 :: 1.2400 HB3 :: 2.0100 HG2 :: 1.4900 HG3 :: 1.6800 HD2 :: 3.1400 HD3 :: 3.2900 HE :: 7.0600 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 :: 121.1900 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.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.16 C 0.15 R 0.12 H 0.11 Q 0.08 W 0.07 E 0.05 C Shift Assignments>> CA :: 55.0100 CB :: 32.3800 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 :: 8.3500 HA :: 5.2700 HB2 :: 2.3860 HB3 :: 2.8500 HD2 :: 7.4000 HE1 :: 7.2400 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 :: 118.4200 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 W 0.08 C Shift Assignments>> CA :: 57.4000 CB :: 35.3800 CD1 :: 126.6400 CE3 :: 121.7000 CZ2 :: 114.3900 CZ3 :: 123.9000 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 :: 9.3100 HA :: 5.9300 HB2 :: 2.7400 HB3 :: 3.3900 HD1 :: 7.0200 HE1 :: 10.6100 HE3 :: 7.3400 HZ2 :: 7.3900 HZ3 :: 6.9000 HH2 :: 7.0700 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 :: 119.9900 NE1 :: 128.9300 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.15 R 0.12 E 0.11 H 0.09 K 0.08 V 0.07 M 0.06 Q 0.05 I 0.01 C Shift Assignments>> CA :: 59.2100 CB :: 31.2000 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 :: 8.4300 HA :: 4.6000 HB2 :: 3.6700 HD2 :: 7.5800 HE1 :: 7.2400 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 :: 117.2700 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.26 E 0.22 M 0.01 K 0.01 C Shift Assignments>> CA :: 61.0200 CB :: 30.3100 CG :: 36.9000 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 :: 9.0400 HA :: 3.8270 HB2 :: 2.1300 HG2 :: 2.2700 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 :: 124.6400 Ave N Shift Values>> N :: 120.67(3.48) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> CA :: 54.0000 CB :: 18.8800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6800 HA :: 4.2300 HB1 :: 1.4900 HB2 :: 1.4900 HB3 :: 1.4900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.0500 Ave N Shift Values>> N :: 123.23(3.54) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.2 K 0.12 W 0.07 M 0.07 Q 0.06 R 0.06 H 0.04 E 0.03 P 0.01 C Shift Assignments>> CA :: 59.8500 CB :: 32.8400 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.4900 HA :: 4.2950 HB2 :: 3.4200 HB3 :: 3.2100 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 :: 115.3800 Ave N Shift Values>> N :: 120.17(4.64) 1.F66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.38 Y 0.35 C 0.25 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> CA :: 57.0100 CB :: 38.0700 CD1 :: 131.6100 CD2 :: 131.6100 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 :: 7.1100 HA :: 3.8900 HB2 :: 2.5300 HB3 :: 2.9900 HD1 :: 5.9700(S) HE1 :: 7.2900 HE2 :: 7.2900 HZ :: 6.8700 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 :: 122.0200 Ave N Shift Values>> N :: 120.45(4.18) 1.H67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.19 H 0.12 R 0.11 K 0.11 W 0.06 Q 0.06 P 0.03 E 0.03 C Shift Assignments>> CA :: 52.7300 CB :: 32.2300 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 :: 7.3800 HA :: 4.7200 HB2 :: 2.5600 HB3 :: 2.7900 HD2 :: 7.5800 HE1 :: 7.2400 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 :: 121.2800 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.15 V 0.11 R 0.1 E 0.1 H 0.08 K 0.07 M 0.05 Q 0.04 I 0.02 P 0.01 C Shift Assignments>> CA :: 59.7900 CB :: 31.2000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5300 HA :: 3.9600 HB2 :: 2.6440 HB3 :: 3.2400 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 :: 121.5900 Ave N Shift Values>> N :: 120.17(4.64) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.7600 CB :: 64.0400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.4600 HA :: 4.3100 HB2 :: 4.2300 HB3 :: 3.9000 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 :: 126.5300 Ave N Shift Values>> N :: 116.28(3.52) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.25 M 0.15 K 0.14 E 0.13 HN Overlap>> 1.D77 1.D77 C Shift Assignments>> CA :: 57.8400 CB :: 30.4300 CG :: 34.1800 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 :: 8.9800 HA :: 4.5100 HB2 :: 2.4900 HB3 :: 2.1300 HG2 :: 2.2500 HG3 :: 2.3200 HE21 :: 7.5000 HE22 :: 6.9500 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 :: 122.3700 NE2 :: 113.7600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.15 W 0.12 K 0.1 R 0.09 E 0.07 H 0.07 M 0.07 Q 0.02 P 0.01 C Shift Assignments>> CA :: 59.7700 CB :: 31.9100 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2200 HA :: 4.7200 HB2 :: 3.1300 HB3 :: 3.2300 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 :: 118.8600 Ave N Shift Values>> N :: 120.17(4.64) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.27 L 0.2 K 0.1 G 0.02 C Shift Assignments>> CA :: 58.0300 CB :: 27.7200 CG :: 27.0100 CD :: 42.7100 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 :: 7.3800 HA :: 3.9650 HB2 :: 1.2100 HB3 :: 1.3400 HG2 :: 1.7400 HG3 :: 1.9560 HD2 :: 2.9500 HE :: 6.9100 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 :: 114.3800 NE :: 85.1800 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.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.18 Y 0.11 F 0.1 C 0.1 L 0.06 HN Overlap>> 1.C7 1.C7 C Shift Assignments>> CA :: 54.1100 CB :: 38.8700 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 :: 8.7220 HA :: 4.6300 HB2 :: 2.9500 HB3 :: 2.6300 HD21 :: 7.8900 HD22 :: 6.9560 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 :: 121.4800 ND2 :: 114.1400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.3570 CB :: 63.3000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6900 HA :: 4.0600 HB2 :: 3.7300 HB3 :: 4.0500 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 :: 114.7100 Ave N Shift Values>> N :: 116.28(3.52) 1.L75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.66 C 0.16 A 0.13 R 0.01 G 0.01 C Shift Assignments>> CA :: 53.5100 CB :: 42.2000 CG :: 26.2300 CD1 :: 25.3000 CD2 :: 22.5000 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 :: 7.9700 HA :: 4.2800 HB2 :: 1.0000 HB3 :: 0.2200(S) HG :: 0.9400 HD11 :: -0.5200(S) HD12 :: -0.5200(S) HD13 :: -0.5200(S) HD21 :: 0.4900 HD22 :: 0.4900 HD23 :: 0.4900 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 :: 125.7570 Ave N Shift Values>> N :: 121.86(3.9) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> CA :: 65.4200 CB :: 31.5400 CG1 :: 21.3400 CG2 :: 23.4600 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 :: 7.8300 HA :: 3.5700 HB :: 1.9300 HG11 :: 0.9480 HG12 :: 0.9480 HG13 :: 0.9480 HG21 :: 1.2100 HG22 :: 1.2100 HG23 :: 1.2100 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 :: 120.8600 Ave N Shift Values>> N :: 121.14(4.54) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.23 D 0.15 C 0.13 N 0.1 L 0.08 I 0.03 HN Overlap>> 1.Q70 1.Q70 C Shift Assignments>> CA :: 56.2000 CB :: 39.3800 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 :: 8.9100 HA :: 4.2300 HB2 :: 2.8000 HB3 :: 2.8600 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 :: 122.3600 Ave N Shift Values>> N :: 120.65(3.86) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.47 R 0.03 HN Overlap>> 1.C51 1.C51 C Shift Assignments>> CA :: 56.9600 CB :: 34.6800 CG :: 24.0800 CD :: 29.2500 CE :: 42.0400 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 :: 7.6600 HA :: 4.8700 HB2 :: 1.4560 HB3 :: 1.8700 HG2 :: 1.5000 HG3 :: 1.3300 HD2 :: 1.4400 HE2 :: 2.8400 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 :: 118.1000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 62.5200 CB :: 32.1600 CG :: 27.6000 CD :: 50.3100 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) H Shift Assignments>> HA :: 4.4600 HB2 :: 2.1700 HB3 :: 1.7400 HG2 :: 1.9200 HG3 :: 2.0100 HD2 :: 3.7800 HD3 :: 3.5800 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.38 C 0.14 G 0.01 C Shift Assignments>> CA :: 56.0600 CB :: 42.4100 CD1 :: 131.7900 CD2 :: 131.7900 CE1 :: 129.2900 CE2 :: 129.2900 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 :: 7.5100 HA :: 4.9100 HB2 :: 2.7900 HB3 :: 2.6000 HD2 :: 6.8800 HE1 :: 7.2900 HE2 :: 7.2900 HZ :: 6.8400 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 :: 114.0500 Ave N Shift Values>> N :: 120.45(4.18) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 L 0.15 C 0.08 C Shift Assignments>> CA :: 50.4500 CB :: 21.9200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0300 HA :: 4.3100 HB1 :: 0.6950 HB2 :: 0.6950 HB3 :: 0.6950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2900 Ave N Shift Values>> N :: 123.23(3.54) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.06 C 0.04 C Shift Assignments>> CA :: 51.1000 CB :: 21.1300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2400 HA :: 5.1100 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 :: 122.4900 Ave N Shift Values>> N :: 123.23(3.54) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.11 C Shift Assignments>> CA :: 55.8000 CB :: 34.7200 CG :: 24.8500 CD :: 29.3200 CE :: 42.1700 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 :: 8.4000 HA :: 4.4900 HB2 :: 1.7500 HB3 :: 1.4900 HG2 :: 1.2200 HG3 :: 1.3600 HD2 :: 1.5100 HE2 :: 2.7650 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 :: 123.5800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.26 E 0.21 K 0.03 Q 0.02 C Shift Assignments>> CA :: 58.6200 CB :: 27.2100 CG :: 36.4000 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 :: 9.3200 HA :: 3.8200 HB2 :: 2.2700 HB3 :: 2.1500 HG2 :: 2.2800 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 :: 125.4700 Ave N Shift Values>> N :: 120.67(3.48) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.17 F 0.16 Y 0.14 N 0.1 C 0.08 K 0.04 I 0.01 C Shift Assignments>> CA :: 55.4000 CB :: 40.4000 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 :: 8.7300 HA :: 4.6000 HB2 :: 2.8500 HB3 :: 2.9000 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 :: 118.5500 Ave N Shift Values>> N :: 120.65(3.86) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 Q 0.25 C 0.25 E 0.1 K 0.06 C Shift Assignments>> CA :: 55.1000 CB :: 31.1100 CG :: 34.2000 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 :: 8.1700 HA :: 4.5400 HB2 :: 2.0100 HG2 :: 2.4700 HG3 :: 2.3200 HE21 :: 7.5300 HE22 :: 6.8700 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 :: 119.0500 NE2 :: 110.8600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.63 C 0.22 A 0.05 R 0.05 G 0.03 C Shift Assignments>> CA :: 54.5200 CB :: 42.7000 CG :: 27.0200 CD1 :: 25.0800 CD2 :: 22.9100 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 :: 8.4900 HA :: 4.6200 HB2 :: 1.2800 HB3 :: 0.4900 HG :: 1.1960 HD11 :: -0.2900(S) HD12 :: -0.2900(S) HD13 :: -0.2900(S) HD21 :: 0.1100 HD22 :: 0.1100 HD23 :: 0.1100 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 :: 123.1100 Ave N Shift Values>> N :: 121.86(3.9) 1.L88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 G 0.35 C Shift Assignments>> CA :: 53.3400 CB :: 47.1900 CG :: 29.9400 CD1 :: 26.8700 CD2 :: 25.2500 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 :: 8.9300 HA :: 5.8800(S) HB2 :: 1.6280 HG :: 2.8800(S) HD11 :: 0.8300 HD12 :: 0.8300 HD13 :: 0.8300 HD21 :: 0.9700 HD22 :: 0.9700 HD23 :: 0.9700 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 :: 123.6900 Ave N Shift Values>> N :: 121.86(3.9) 1.C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 R 0.14 W 0.14 E 0.13 H 0.13 Q 0.08 K 0.08 M 0.08 V 0.02 C Shift Assignments>> CA :: 57.6400 CB :: 30.9400 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.4300 HA :: 4.7800 HB2 :: 3.6200 HB3 :: 2.7600 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 :: 122.2700 Ave N Shift Values>> N :: 120.17(4.64) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 65.4600 CB :: 68.6700 CG2 :: 22.0900 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 :: 8.4100 HA :: 3.9000 HB :: 4.2000 HG21 :: 1.1200 HG22 :: 1.1200 HG23 :: 1.1200 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 :: 110.6200 Ave N Shift Values>> N :: 115.42(4.75) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 K 0.17 L 0.13 C 0.09 D 0.08 I 0.04 R 0.01 C Shift Assignments>> CA :: 57.8100 CB :: 41.1600 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 :: 8.1500 HA :: 4.4900 HB2 :: 2.6700 HB3 :: 2.8600 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 :: 123.4700 Ave N Shift Values>> N :: 120.65(3.86) 1.C92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.26 V 0.26 I 0.21 C 0.18 W 0.04 HN Overlap>> 1.K52 1.K52 C Shift Assignments>> CA :: 64.1000 CB :: 30.0900 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5800 HA :: 3.9700 HB2 :: 2.8900 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 :: 123.8000 Ave N Shift Values>> N :: 120.17(4.64) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 Y 0.25 F 0.24 C 0.16 C Shift Assignments>> CA :: 60.3800 CB :: 39.3000 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 :: 8.5400 HA :: 4.1400 HB2 :: 2.8900 HB3 :: 2.8100 HD1 :: 6.8900 HD2 :: 6.8900 HE1 :: 6.6400 HE2 :: 6.6400 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 :: 120.7300 Ave N Shift Values>> N :: 120.52(4.2) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.3000 CB :: 63.6600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7500 HA :: 4.2200 HB2 :: 3.8600 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 :: 115.0100 Ave N Shift Values>> N :: 116.28(3.52) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.23 F 0.1 Y 0.09 C 0.08 L 0.08 C Shift Assignments>> CA :: 53.8800 CB :: 39.3000 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 :: 7.7800 HA :: 4.5100 HB2 :: 2.6600 HD21 :: 7.5900 HD22 :: 6.9300 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 :: 119.8200 ND2 :: 113.4000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.31 M 0.1 Q 0.1 K 0.08 I 0.02 C Shift Assignments>> CA :: 56.9100 CB :: 30.2200 CG :: 35.8600 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 :: 7.9500 HA :: 4.0960 HB2 :: 1.6900 HG2 :: 1.9500 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 :: 119.8200 Ave N Shift Values>> N :: 120.67(3.48) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.1 D 0.04 L 0.03 E 0.02 N 0.02 C Shift Assignments>> CA :: 57.7000 CB :: 38.7100 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 :: 8.0700 HA :: 4.6200 HB2 :: 3.0800 HB3 :: 2.8600 HD1 :: 6.9000 HD2 :: 6.9000 HE1 :: 6.4800 HE2 :: 6.4800 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 :: 120.3700 Ave N Shift Values>> N :: 120.52(4.2) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 60.3900 CB :: 65.0800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7600 HA :: 4.1400 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 :: 122.4900 Ave N Shift Values>> N :: 116.28(3.52) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 85 #Clerical: 0 #Suspicious: 13 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 303 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 582 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 0 N Shift Results: #Consistent: 101 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.H9 HB2 = 4.3200(S), Expected = 3.10, Std = 0.3600, ChiSquare = 7.0176e-04 1.R22 HD2 = 2.1450(S), Expected = 3.12, Std = 0.2400, ChiSquare = 4.8550e-05 1.L35 HB2 = -0.4400(S), Expected = 1.61, Std = 0.3400, ChiSquare = 1.6456e-09 1.F36 HB2 = 1.4780(S), Expected = 3.00, Std = 0.3700, ChiSquare = 3.8968e-05 1.E41 HB3 = 1.0800(S), Expected = 1.99, Std = 0.2300, ChiSquare = 7.6049e-05 1.E42 HG3 = 3.0700(S), Expected = 2.25, Std = 0.2200, ChiSquare = 1.9356e-04 1.I47 HG12 = -0.5200(S), Expected = 1.28, Std = 0.4000, ChiSquare = 6.7953e-06 1.L54 HB2 = 0.4800(S), Expected = 1.61, Std = 0.3400, ChiSquare = 8.8886e-04 1.K57 HG2 = 0.5000(S), Expected = 1.37, Std = 0.2600, ChiSquare = 8.1941e-04 1.F66 HD1 = 5.9700(S), Expected = 7.06, Std = 0.3100, ChiSquare = 4.3789e-04 1.L75 HB3 = 0.2200(S), Expected = 1.52, Std = 0.3600, ChiSquare = 3.0489e-04 1.L75 HD11 = -0.5200(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7409e-06 1.L75 HD12 = -0.5200(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7409e-06 1.L75 HD13 = -0.5200(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7409e-06 1.L87 HD11 = -0.2900(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0378e-04 1.L87 HD12 = -0.2900(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0378e-04 1.L87 HD13 = -0.2900(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0378e-04 1.L88 HA = 5.8800(S), Expected = 4.32, Std = 0.4700, ChiSquare = 9.0292e-04 1.L88 HG = 2.8800(S), Expected = 1.51, Std = 0.3300, ChiSquare = 3.3028e-05