Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.FME1 Overall Status: Residue type FME not supported. 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 L 0.16 C 0.07 HN Overlap>> 3.A1 2.A2 3.A1 2.A2 C Shift Assignments>> C :: 175.84 CA :: 50.93 CB :: 21.80 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.83 HA :: 4.63 HB1 :: 1.46 HB2 :: 1.46 HB3 :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.87 Ave N Shift Values>> N :: 123.23(3.54) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.44 C Shift Assignments>> C :: 174.54 CA :: 54.61 CB :: 35.94 CG :: 25.63 CD :: 28.75 CE :: 41.25 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 :: 8.29 HA :: 5.41 HB2 :: 1.59 HB3 :: 1.59 HG2 :: 1.53 HG3 :: 1.24 HD2 :: 1.59 HD3 :: 1.59 HE2 :: 2.92 HE3 :: 2.88 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 :: 118.42 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W4 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.07 CA :: 55.04 CB :: 31.57 CG :: 102.53(A) CD1 :: 124.50 CD2 :: 129.27 CE2 :: 128.93 CE3 :: 119.87 CZ2 :: 114.38 CZ3 :: 121.88 CH2 :: 124.20 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 :: 9.35 HA :: 4.97 HB2 :: 2.96 HB3 :: 2.82 HD1 :: 6.94 HE1 :: 9.92 HE3 :: 6.45 HZ2 :: 7.56 HZ3 :: 6.84 HH2 :: 7.15 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 :: 123.16 NE1 :: 130.42 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.13 A 0.03 C Shift Assignments>> C :: 173.10 CA :: 58.09 CB :: 35.22 CG1 :: 19.38 CG2 :: 21.26 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 :: 9.70 HA :: 5.27 HB :: 1.77 HG11 :: 0.89 HG12 :: 0.89 HG13 :: 0.89 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 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 :: 123.16 Ave N Shift Values>> N :: 121.14(4.54) 1.C6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 W 0.25 E 0.2 K 0.08 V 0.06 M 0.06 I 0.05 HN Overlap>> 3.C5 2.C6 3.C5 2.C6 C Shift Assignments>> C :: 178.85 CA :: 59.11 CB :: 30.47 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.26 HA :: 2.81(S) HB2 :: 3.05 HB3 :: 2.67 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 :: 131.23 Ave N Shift Values>> N :: 120.17(4.64) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.46 HN Overlap>> 3.K6 2.K7 3.K6 2.K7 C Shift Assignments>> C :: 176.43 CA :: 58.43 CB :: 31.53 CG :: 25.63 CD :: 28.75 CE :: 41.25 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 :: 9.07 HA :: 3.94 HB2 :: 2.00 HB3 :: 1.87 HG2 :: 1.62 HG3 :: 1.49 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 2.98 HE3 :: 2.84 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 :: 131.28 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 I 0.13 HN Overlap>> 3.I7 2.I8 3.I7 2.I8 C Shift Assignments>> C :: 178.36 CA :: 61.75 CB :: 34.84 CG1 :: 26.88 CG2 :: 17.51 CD1 :: 9.38 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 :: 9.08 HA :: 4.03 HB :: 2.53 HG12 :: 1.36 HG13 :: 1.35 HG21 :: 0.83 HG22 :: 0.83 HG23 :: 0.83 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.14 Ave N Shift Values>> N :: 121.46(4.28) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.24 M 0.18 V 0.1 W 0.08 E 0.05 HN Overlap>> 3.C8 2.C9 3.C8 2.C9 C Shift Assignments>> C :: 177.64 CA :: 58.40 CB :: 33.17 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.32 HA :: 5.02 HB2 :: 3.28 HB3 :: 2.51 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 :: 122.15 Ave N Shift Values>> N :: 120.17(4.64) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 C Shift Assignments>> C :: 173.99 CA :: 45.33 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.99 HA2 :: 4.23 HA3 :: 3.65 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.29 Ave N Shift Values>> N :: 109.67(3.87) 1.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 HN Overlap>> 3.Y10 2.Y11 3.Y10 2.Y11 C Shift Assignments>> C :: 173.05 CA :: 59.85 CB :: 39.64 CG :: 122.43 CD1 :: 134.01 CE1 :: 118.46 CZ :: 157.74 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 :: 9.38 HA :: 4.21 HB2 :: 3.15 HB3 :: 3.10 HD1 :: 7.36 HD2 :: 7.36 HE1 :: 7.08 HE2 :: 7.08 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 :: 128.36 Ave N Shift Values>> N :: 120.52(4.2) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 175.26 CA :: 58.54 CB :: 38.79 CG1 :: 26.88 CG2 :: 16.88 CD1 :: 12.51 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 :: 6.98 HA :: 4.80 HB :: 1.47 HG12 :: 1.80 HG13 :: 1.80 HG21 :: 0.65 HG22 :: 0.65 HG23 :: 0.65 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 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 :: 126.30 Ave N Shift Values>> N :: 121.46(4.28) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.43 C Shift Assignments>> C :: 173.03 CA :: 57.34 CB :: 38.67 CG :: 120.94 CD1 :: 133.20 CE1 :: 116.54 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 :: 9.72 HA :: 4.58 HB2 :: 3.30 HB3 :: 3.11 HD1 :: 7.14 HD2 :: 7.14 HE1 :: 6.38 HE2 :: 6.38 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 :: 127.50 Ave N Shift Values>> N :: 120.52(4.2) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.8 N 0.1 C 0.07 G 0.02 HN Overlap>> 3.D13 2.D14 3.D13 2.D14 C Shift Assignments>> C :: 176.69 CA :: 51.02 CB :: 41.85 CG :: 179.20 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 :: 8.58 HA :: 4.75 HB2 :: 2.88 HB3 :: 2.24 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 :: 129.92 Ave N Shift Values>> N :: 120.65(3.86) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.32 I 0.08 M 0.06 HN Overlap>> 3.E14 3.E14 C Shift Assignments>> C :: 177.73 CA :: 58.38 CB :: 30.86 CG :: 37.50 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 :: 8.32 HA :: 3.73 HB2 :: 2.30 HB3 :: 1.91 HG2 :: 2.94 HG3 :: 2.86 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 :: 124.41 Ave N Shift Values>> N :: 120.67(3.48) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.72 C 0.24 N 0.02 HN Overlap>> 3.D15 2.D16 3.D15 2.D16 C Shift Assignments>> C :: 177.60 CA :: 56.38 CB :: 41.33 CG :: 179.50 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 :: 8.05 HA :: 4.27 HB2 :: 2.59 HB3 :: 2.53 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 :: 114.13 Ave N Shift Values>> N :: 120.65(3.86) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 179.98 CA :: 52.07 CB :: 19.71 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.13 HA :: 4.27 HB1 :: 1.47 HB2 :: 1.47 HB3 :: 1.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.42 Ave N Shift Values>> N :: 123.23(3.54) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.3 C 0.05 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.47 CA :: 44.39 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.28 HA2 :: 3.93 HA3 :: 3.58 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.06 Ave N Shift Values>> N :: 109.67(3.87) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.76 N 0.12 C 0.1 C Shift Assignments>> C :: 174.78 CA :: 52.33 CB :: 40.16 CG :: 179.85 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 :: 8.19 HA :: 5.15 HB2 :: 3.02 HB3 :: 2.95 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 :: 117.04 Ave N Shift Values>> N :: 120.65(3.86) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 180.06 CA :: 65.03 CB :: 31.53 CG :: 27.33 CD :: 50.21 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 :: 4.16 HB2 :: 2.36 HB3 :: 2.14 HG2 :: 2.20 HG3 :: 2.10 HD2 :: 4.01 HD3 :: 3.90 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) N Shift Assignments>> N :: 142.27 Ave N Shift Values>> N :: 134.16(6.62) 1.D21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.57 C 0.37 N 0.03 E 0.01 HN Overlap>> 3.D20 2.D21 3.D20 2.D21 C Shift Assignments>> C :: 177.04 CA :: 56.48 CB :: 39.60 CG :: 179.94 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 :: 9.21 HA :: 4.45 HB2 :: 2.71 HB3 :: 1.50(S) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.46 Ave N Shift Values>> N :: 120.65(3.86) 1.N22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.47 D 0.4 C 0.11 HN Overlap>> 3.N21 2.N22 3.N21 2.N22 C Shift Assignments>> C :: 175.19 CA :: 52.03 CB :: 38.87 CG :: 178.82 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 :: 7.67 HA :: 5.09 HB2 :: 3.04 HB3 :: 2.70 HD21 :: 9.36(S) HD22 :: 6.98 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 :: 114.94 ND2 :: 119.63 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 HN Overlap>> 3.G22 2.G23 3.G22 2.G23 C Shift Assignments>> C :: 173.80 CA :: 45.57 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.76 HA2 :: 4.11 HA3 :: 3.81 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.03 Ave N Shift Values>> N :: 109.67(3.87) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 A 0.08 I 0.03 HN Overlap>> 3.I23 2.I24 3.I23 2.I24 C Shift Assignments>> C :: 176.41 CA :: 57.37 CB :: 35.46 CG1 :: 25.01 CG2 :: 17.88 CD1 :: 10.01 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.60 HA :: 4.38 HB :: 1.99 HG12 :: 1.40 HG13 :: 1.39 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 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 :: 121.84 Ave N Shift Values>> N :: 121.46(4.28) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 3.S24 2.S25 3.S24 2.S25 C Shift Assignments>> C :: 175.81 CA :: 57.27 CB :: 61.71 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.62 HA :: 4.59 HB2 :: 3.87 HB3 :: 3.70 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 :: 124.99 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: Consistent PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.69 CA :: 63.85 CB :: 31.20 CG :: 27.21 CD :: 50.81 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 :: 3.72 HB2 :: 2.52 HB3 :: 1.80 HG2 :: 2.12 HG3 :: 2.02 HD2 :: 3.89 HD3 :: 3.68 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) N Shift Assignments>> N :: 138.38 Ave N Shift Values>> N :: 134.16(6.62) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.15 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.41 CA :: 44.99 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.20 HA2 :: 4.02 HA3 :: 3.70 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.08 Ave N Shift Values>> N :: 109.67(3.87) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 3.T27 3.T27 C Shift Assignments>> C :: 174.46 CA :: 62.72 CB :: 67.92 CG2 :: 20.07 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 :: 7.15 HA :: 4.03 HB :: 3.86 HG1 :: 6.36 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 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 :: 117.07 Ave N Shift Values>> N :: 115.42(4.75) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.45 C Shift Assignments>> C :: 177.33 CA :: 55.71 CB :: 31.61 CG :: 25.00 CD :: 28.13 CE :: 41.25 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 :: 8.81 HA :: 3.95 HB2 :: 2.08 HB3 :: 1.42 HG2 :: 1.60 HG3 :: 1.53 HD2 :: 1.60 HD3 :: 1.60 HE2 :: 3.12 HE3 :: 3.05 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 :: 129.81 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F30 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 3.F29 3.F29 C Shift Assignments>> C :: 178.82 CA :: 60.71 CB :: 37.90 CG :: 127.84(A) CD1 :: 130.66 CE1 :: 129.34 CZ :: 129.28 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 :: 9.92 HA :: 3.11 HB2 :: 2.09 HB3 :: 1.85 HD1 :: 5.66(S) HD2 :: 5.66(S) HE1 :: 6.22 HE2 :: 6.22 HZ :: 6.76 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 :: 125.95 Ave N Shift Values>> N :: 120.45(4.18) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.45 C Shift Assignments>> C :: 176.86 CA :: 58.30 CB :: 28.20 CG :: 36.38 CD :: 184.07 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 :: 9.48 HA :: 3.71 HB2 :: 2.00 HB3 :: 1.91 HG2 :: 2.37 HG3 :: 2.24 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 :: 114.83 Ave N Shift Values>> N :: 120.67(3.48) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 C 0.4 HN Overlap>> 3.E31 2.E32 3.E31 2.E32 C Shift Assignments>> C :: 176.76 CA :: 54.70 CB :: 29.36 CG :: 36.25 CD :: 183.61 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 :: 7.45 HA :: 4.05 HB2 :: 2.02 HB3 :: 2.02 HG2 :: 2.16 HG3 :: 2.05 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 :: 116.43 Ave N Shift Values>> N :: 120.67(3.48) 1.L33 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.58 C 0.28 L 0.13 HN Overlap>> 3.L32 2.L33 3.L32 2.L33 C Shift Assignments>> C :: 175.09 CA :: 52.85 CB :: 39.29 CG :: 25.01 CD1 :: 22.51 CD2 :: 21.88 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 :: 6.85 HA :: 3.81 HB2 :: 0.52 HB3 :: 0.22(S) HG :: 0.74 HD11 :: -1.76(A) HD12 :: -1.76(A) HD13 :: -1.76(A) HD21 :: -0.22 HD22 :: -0.22 HD23 :: -0.22 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.78 Ave N Shift Values>> N :: 121.86(3.9) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 177.03 CA :: 62.12 CB :: 32.02 CG :: 27.25 CD :: 49.38 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 :: 4.30 HB2 :: 2.40 HB3 :: 2.07 HG2 :: 2.15 HG3 :: 2.07 HD2 :: 3.72 HD3 :: 3.22 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) N Shift Assignments>> N :: 135.12 Ave N Shift Values>> N :: 134.16(6.62) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.62 C 0.32 N 0.04 HN Overlap>> 3.D34 2.D35 3.D34 2.D35 C Shift Assignments>> C :: 176.47 CA :: 56.42 CB :: 39.93 CG :: 179.68 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 :: 8.71 HA :: 4.17 HB2 :: 2.66 HB3 :: 2.56 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.66 Ave N Shift Values>> N :: 120.65(3.86) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.69 C 0.25 N 0.04 E 0.01 HN Overlap>> 3.D35 2.D36 3.D35 2.D36 C Shift Assignments>> C :: 175.57 CA :: 51.96 CB :: 39.09 CG :: 181.07 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 :: 8.18 HA :: 4.51 HB2 :: 2.82 HB3 :: 2.53 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 :: 114.26 Ave N Shift Values>> N :: 120.65(3.86) 1.W37 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 W 0.06 HN Overlap>> 3.W36 2.W37 3.W36 2.W37 C Shift Assignments>> C :: 174.90 CA :: 59.71 CB :: 29.22 CG :: 104.69(A) CD1 :: 126.08 CD2 :: 130.70 CE3 :: 119.06 CZ2 :: 113.70 CZ3 :: 121.50 CH2 :: 123.12 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.61 HA :: 4.05 HB2 :: 2.87 HB3 :: 2.81 HD1 :: 7.12 HE1 :: 10.54 HE3 :: 6.56 HZ2 :: 7.22 HZ3 :: 5.74 HH2 :: 6.78 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 :: 123.42 NE1 :: 129.66 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 A 0.11 HN Overlap>> 3.V37 2.V38 3.V37 2.V38 C Shift Assignments>> C :: 172.11 CA :: 56.60 CB :: 34.74 CG1 :: 21.22 CG2 :: 16.69 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 :: 6.17 HA :: 4.38 HB :: 1.55 HG11 :: 0.60 HG12 :: 0.60 HG13 :: 0.60 HG21 :: 0.30 HG22 :: 0.30 HG23 :: 0.30 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.29 Ave N Shift Values>> N :: 121.14(4.54) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.22 W 0.22 C 0.22 M 0.15 K 0.13 V 0.01 HN Overlap>> 3.C38 2.C39 3.C38 2.C39 C Shift Assignments>> C :: 177.15 CA :: 56.69 CB :: 30.75 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.97 HA :: 3.82 HB2 :: 3.22 HB3 :: 3.09 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 :: 121.69 Ave N Shift Values>> N :: 120.17(4.64) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 176.18 CA :: 63.19 CB :: 31.66 CG :: 26.05 CD :: 51.30 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 :: 4.00 HB2 :: 2.17 HB3 :: 1.66 HG2 :: 1.85 HG3 :: 1.25 HD2 :: 3.45 HD3 :: 3.20 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) N Shift Assignments>> N :: 141.30 Ave N Shift Values>> N :: 134.16(6.62) 1.I41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.97 I 0.01 HN Overlap>> 3.I40 2.I41 3.I40 2.I41 C Shift Assignments>> C :: 178.12 CA :: 60.47 CB :: 34.89 CG1 :: 26.88 CG2 :: 16.88 CD1 :: 8.13 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 :: 8.72 HA :: 4.08 HB :: 2.75(S) HG12 :: 1.47 HG13 :: 1.23 HG21 :: 0.83 HG22 :: 0.83 HG23 :: 0.83 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.03 Ave N Shift Values>> N :: 121.46(4.28) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.22 M 0.16 W 0.12 V 0.1 E 0.08 HN Overlap>> 3.C41 2.C42 3.C41 2.C42 C Shift Assignments>> C :: 177.64 CA :: 58.42 CB :: 32.53 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.83 HA :: 4.88 HB2 :: 3.22 HB3 :: 2.52 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 :: 121.29 Ave N Shift Values>> N :: 120.17(4.64) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 C 0.02 HN Overlap>> 3.G42 2.G43 3.G42 2.G43 C Shift Assignments>> C :: 173.26 CA :: 45.38 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.89 HA2 :: 4.05 HA3 :: 3.53 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.97 Ave N Shift Values>> N :: 109.67(3.87) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 HN Overlap>> 3.A43 2.A44 3.A43 2.A44 C Shift Assignments>> C :: 174.34 CA :: 50.75 CB :: 19.03 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.14 HA :: 4.38 HB1 :: 1.48 HB2 :: 1.48 HB3 :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.76 Ave N Shift Values>> N :: 123.23(3.54) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 P 0.4 C Shift Assignments>> C :: 177.15 CA :: 61.17 CB :: 32.25 CG :: 26.46 CD :: 49.36 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 :: 4.76 HB2 :: 2.40 HB3 :: 2.39 HG2 :: 2.14 HG3 :: 2.10 HD2 :: 3.84 HD3 :: 3.60 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) N Shift Assignments>> N :: 142.27 Ave N Shift Values>> N :: 134.16(6.62) 1.K46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 K 0.43 HN Overlap>> 3.K45 3.K45 C Shift Assignments>> C :: 178.27 CA :: 60.04 CB :: 32.21 CG :: 25.63 CD :: 28.75 CE :: 41.25 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 :: 8.49 HA :: 4.15 HB2 :: 1.87 HB3 :: 1.87 HG2 :: 1.71 HG3 :: 1.06 HD2 :: 1.25 HD3 :: 1.25 HE2 :: 2.31 HE3 :: 2.06(S) 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 :: 117.64 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 3.S46 2.S47 3.S46 2.S47 C Shift Assignments>> C :: 175.85 CA :: 59.66 CB :: 61.81 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.91 HA :: 4.42 HB2 :: 4.21 HB3 :: 3.97 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 :: 110.13 Ave N Shift Values>> N :: 116.28(3.52) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 E 0.3 HN Overlap>> 3.E47 2.E48 3.E47 2.E48 C Shift Assignments>> C :: 173.75 CA :: 54.73 CB :: 27.67 CG :: 34.38 CD :: 182.90 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 :: 8.42 HA :: 4.76 HB2 :: 2.58 HB3 :: 2.00 HG2 :: 2.40 HG3 :: 2.22 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.31 Ave N Shift Values>> N :: 120.67(3.48) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 F 0.27 G 0.07 HN Overlap>> 3.F48 2.F49 3.F48 2.F49 C Shift Assignments>> C :: 177.09 CA :: 56.21 CB :: 42.34 CG :: 132.75 CD1 :: 131.67 CE1 :: 131.71 CZ :: 130.49 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 :: 7.75 HA :: 5.68 HB2 :: 3.64 HB3 :: 2.59 HD1 :: 7.55 HD2 :: 7.55 HE1 :: 7.37 HE2 :: 7.37 HZ :: 7.65 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 :: 118.80 Ave N Shift Values>> N :: 120.45(4.18) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 E 0.23 HN Overlap>> 3.E49 2.E50 3.E49 2.E50 C Shift Assignments>> C :: 174.06 CA :: 53.36 CB :: 33.27 CG :: 35.63 CD :: 183.61 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 :: 9.09 HA :: 4.85 HB2 :: 1.92 HB3 :: 1.88 HG2 :: 2.15 HG3 :: 2.13 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 :: 120.12 Ave N Shift Values>> N :: 120.67(3.48) 1.K51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 K 0.43 HN Overlap>> 3.K50 3.K50 C Shift Assignments>> C :: 176.81 CA :: 56.67 CB :: 31.12 CG :: 23.76 CD :: 28.13 CE :: 41.25 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 :: 8.28 HA :: 3.19 HB2 :: 0.99 HB3 :: 0.01(S) HG2 :: 0.68 HG3 :: 0.06(S) HD2 :: 1.28 HD3 :: 1.24 HE2 :: 2.71 HE3 :: 2.71 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 :: 127.50 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.2 K 0.16 HN Overlap>> 1.FME1 1.FME1 C Shift Assignments>> C :: 176.36 CA :: 54.29 CB :: 41.94 CG :: 26.88 CD1 :: 24.38 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 :: 8.65 HA :: 4.22 HB2 :: 1.45 HB3 :: 1.33 HG :: 1.43 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 HD21 :: 0.80 HD22 :: 0.80 HD23 :: 0.80 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 :: 129.21 Ave N Shift Values>> N :: 121.86(3.9) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 C 0.45 C Shift Assignments>> C :: 175.02 CA :: 55.30 CB :: 30.32 CG :: 35.75 CD :: 184.12 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 :: 8.33 HA :: 4.27 HB2 :: 2.02 HB3 :: 1.80 HG2 :: 2.17 HG3 :: 2.10 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 :: 123.98 Ave N Shift Values>> N :: 120.67(3.48) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.73 C 0.25 HN Overlap>> 3.D53 3.D53 C Shift Assignments>> C :: 180.85 CA :: 55.30 CB :: 41.71 CG :: 181.38 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 :: 7.91 HA :: 4.29 HB2 :: 2.59 HB3 :: 2.49 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 :: 127.20 Ave N Shift Values>> N :: 120.65(3.86) 2.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.18 C 0.07 HN Overlap>> 1.A2 3.A1 1.A2 3.A1 C Shift Assignments>> C :: 175.84 CA :: 51.38 CB :: 21.74 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.92 HA :: 4.64 HB1 :: 1.46 HB2 :: 1.46 HB3 :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.82 Ave N Shift Values>> N :: 123.23(3.54) 2.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 E 0.24 M 0.19 N 0.12 K 0.06 Y 0.06 F 0.03 C Shift Assignments>> C :: 174.69 CA :: 54.61 CB :: 35.93 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 :: 8.3 HA :: 5.47 HB2 :: 1.63 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 :: 118.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.W4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 C 0.21 K 0.19 W 0.15 E 0.13 V 0.01 C Shift Assignments>> C :: 173.90 CA :: 55.16 CB :: 31.55 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 :: 9.51 HA :: 4.98 HE1 :: 9.95 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 :: 124.22 NE1 :: 129.2 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.27 M 0.12 K 0.09 Y 0.07 I 0.04 F 0.03 V 0.03 HN Overlap>> 3.V4 3.V4 C Shift Assignments>> C :: 172.81 CA :: 58.12 CB :: 35.48 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 :: 9.74 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 :: 123.28 Ave N Shift Values>> N :: 121.14(4.54) 2.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 W 0.25 E 0.19 K 0.07 V 0.06 M 0.05 I 0.05 HN Overlap>> 1.C6 3.C5 1.C6 3.C5 C Shift Assignments>> C :: 178.85 CA :: 59.24 CB :: 30.39 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.23 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 :: 131.23 Ave N Shift Values>> N :: 120.17(4.64) 2.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 W 0.18 K 0.16 E 0.15 M 0.14 V 0.07 HN Overlap>> 1.K7 3.K6 1.K7 3.K6 C Shift Assignments>> C :: 176.43 CA :: 58.43 CB :: 31.53 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 :: 9.07 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 :: 131.28 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 V 0.33 I 0.12 E 0.04 K 0.03 Y 0.02 M 0.02 P 0.01 F 0.01 W 0.01 HN Overlap>> 1.I8 3.I7 1.I8 3.I7 C Shift Assignments>> C :: 178.36 CA :: 61.75 CB :: 34.84 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 :: 9.08 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.14 Ave N Shift Values>> N :: 121.46(4.28) 2.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.24 M 0.18 V 0.11 W 0.08 E 0.05 HN Overlap>> 1.C9 3.C8 1.C9 3.C8 C Shift Assignments>> C :: 177.64 CA :: 58.44 CB :: 33.17 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.32 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 :: 122.15 Ave N Shift Values>> N :: 120.17(4.64) 2.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 C Shift Assignments>> C :: 173.99 CA :: 45.33 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.04 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.6 Ave N Shift Values>> N :: 109.67(3.87) 2.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.27 I 0.24 C 0.15 L 0.01 D 0.01 HN Overlap>> 1.Y11 3.Y10 1.Y11 3.Y10 C Shift Assignments>> C :: 173.08 CA :: 59.81 CB :: 39.64 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 :: 9.38 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 :: 128.36 Ave N Shift Values>> N :: 120.52(4.2) 2.I12 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 0.17 E 0.02 D 0.02 L 0.02 HN Overlap>> 3.I11 3.I11 C Shift Assignments>> C :: 175.11 CA :: 58.63 CB :: 38.78 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.03 HA :: 4.76 HB :: 1.46 HG21 :: 0.65 HG22 :: 0.65 HG23 :: 0.65 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 :: 126.19 Ave N Shift Values>> N :: 121.46(4.28) 2.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.25 C 0.18 I 0.09 D 0.05 N 0.04 L 0.03 E 0.03 M 0.01 C Shift Assignments>> CA :: 57.34 CB :: 38.67 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 :: 9.71 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 :: 127.85 Ave N Shift Values>> N :: 120.52(4.2) 2.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.23 N 0.15 K 0.06 C 0.06 F 0.03 G 0.02 Y 0.02 HN Overlap>> 1.D14 3.D13 1.D14 3.D13 C Shift Assignments>> C :: 176.79 CA :: 51.05 CB :: 41.96 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 :: 8.58 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 :: 129.92 Ave N Shift Values>> N :: 120.65(3.86) 2.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.25 C 0.24 E 0.24 K 0.09 M 0.08 V 0.03 I 0.03 C Shift Assignments>> C :: 177.73 CA :: 58.13 CB :: 30.38 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 :: 8.24 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 :: 124.68 Ave N Shift Values>> N :: 120.67(3.48) 2.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 D 0.18 L 0.13 C 0.11 N 0.07 I 0.03 K 0.02 HN Overlap>> 1.D16 3.D15 1.D16 3.D15 C Shift Assignments>> C :: 177.23 CA :: 56.33 CB :: 40.02 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 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 :: 114.14 Ave N Shift Values>> N :: 120.65(3.86) 2.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 179.93 CA :: 52.01 CB :: 19.76 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.29 HA :: 4.34 HB1 :: 1.48 HB2 :: 1.48 HB3 :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.46 Ave N Shift Values>> N :: 123.23(3.54) 2.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.31 C 0.05 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.27 CA :: 44.36 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.12 HA2 :: 3.98 HA3 :: 3.58 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.8 Ave N Shift Values>> N :: 109.67(3.87) 2.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.32 L 0.1 C 0.06 F 0.05 Y 0.04 HN Overlap>> 3.D18 3.D18 C Shift Assignments>> CA :: 52.24 CB :: 40.14 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 :: 8.26 HA :: 5.16 HB3 :: 2.98 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 :: 116.85 Ave N Shift Values>> N :: 120.65(3.86) 2.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.43 P 0.42 C 0.1 I 0.02 W 0.01 C Shift Assignments>> C :: 180.06 CA :: 64.99 CB :: 31.53 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) 2.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 D 0.15 C 0.12 L 0.09 N 0.07 I 0.04 HN Overlap>> 1.D21 3.D20 1.D21 3.D20 C Shift Assignments>> C :: 177.04 CA :: 56.48 CB :: 39.60 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 :: 9.21 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.46 Ave N Shift Values>> N :: 120.65(3.86) 2.N22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.61 D 0.16 C 0.08 F 0.04 Y 0.04 L 0.03 HN Overlap>> 1.N22 3.N21 1.N22 3.N21 C Shift Assignments>> C :: 175.19 CA :: 52.03 CB :: 38.87 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 :: 7.67 HD21 :: 9.36(S) HD22 :: 6.98 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 :: 114.94 ND2 :: 119.63 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 HN Overlap>> 1.G23 3.G22 1.G23 3.G22 C Shift Assignments>> C :: 173.80 CA :: 45.57 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.76 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.03 Ave N Shift Values>> N :: 109.67(3.87) 2.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.28 M 0.15 K 0.1 Y 0.06 F 0.03 I 0.02 V 0.02 HN Overlap>> 1.I24 3.I23 1.I24 3.I23 C Shift Assignments>> C :: 176.47 CA :: 57.37 CB :: 35.46 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.60 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 :: 121.84 Ave N Shift Values>> N :: 121.46(4.28) 2.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S25 3.S24 1.S25 3.S24 C Shift Assignments>> CA :: 57.27 CB :: 61.71 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.65 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 :: 125.04 Ave N Shift Values>> N :: 116.28(3.52) 2.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.33 C 0.13 I 0.04 W 0.02 C Shift Assignments>> C :: 176.69 CA :: 63.79 CB :: 31.20 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) 2.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.19 C 0.04 F 0.02 D 0.01 Y 0.01 HN Overlap>> 3.G26 3.G26 C Shift Assignments>> C :: 175 CA :: 44.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.22 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.79 Ave N Shift Values>> N :: 109.67(3.87) 2.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.48 CA :: 63.21 CB :: 67.81 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 :: 7.25 HB :: 3.93 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 :: 117.54 Ave N Shift Values>> N :: 115.42(4.75) 2.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.21 K 0.19 W 0.15 E 0.13 V 0.01 HN Overlap>> 3.K28 3.K28 C Shift Assignments>> C :: 177.2 CA :: 55.53 CB :: 31.61 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 :: 8.65 HA :: 4.22 HG2 :: 1.41 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 :: 130.03 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.21 Y 0.2 F 0.15 E 0.03 C Shift Assignments>> C :: 178.78 CA :: 60.74 CB :: 37.91 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 :: 10.01 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 :: 126.02 Ave N Shift Values>> N :: 120.45(4.18) 2.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.19 K 0.19 E 0.15 I 0.14 L 0.05 M 0.01 C Shift Assignments>> C :: 176.82 CA :: 58.44 CB :: 28.23 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 :: 9.59 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 :: 114.98 Ave N Shift Values>> N :: 120.67(3.48) 2.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 W 0.21 C 0.21 E 0.18 M 0.1 L 0.02 HN Overlap>> 1.E32 3.E31 1.E32 3.E31 C Shift Assignments>> C :: 176.76 CA :: 54.69 CB :: 29.40 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 :: 7.41 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 :: 116.37 Ave N Shift Values>> N :: 120.67(3.48) 2.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.22 C 0.07 F 0.06 L 0.06 Y 0.06 HN Overlap>> 1.L33 3.L32 1.L33 3.L32 C Shift Assignments>> CA :: 52.85 CB :: 39.29 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 :: 6.82 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.86 Ave N Shift Values>> N :: 121.86(3.9) 2.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.37 P 0.29 C 0.21 W 0.05 K 0.02 I 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 177.03 CA :: 62.12 CB :: 32.02 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) 2.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.17 L 0.12 C 0.11 N 0.06 I 0.03 K 0.01 HN Overlap>> 1.D35 3.D34 1.D35 3.D34 C Shift Assignments>> C :: 176.47 CA :: 56.42 CB :: 39.93 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 :: 8.71 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.66 Ave N Shift Values>> N :: 120.65(3.86) 2.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.19 C 0.07 F 0.04 L 0.04 Y 0.04 HN Overlap>> 1.D36 3.D35 1.D36 3.D35 C Shift Assignments>> C :: 175.57 CA :: 51.96 CB :: 39.09 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 :: 8.18 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 :: 114.26 Ave N Shift Values>> N :: 120.65(3.86) 2.W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 W 0.21 I 0.16 E 0.15 K 0.14 V 0.02 M 0.02 HN Overlap>> 1.W37 3.W36 1.W37 3.W36 C Shift Assignments>> C :: 174.90 CA :: 59.71 CB :: 29.22 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.61 HE1 :: 10.6 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 :: 123.42 NE1 :: 129.74 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 M 0.25 K 0.18 E 0.17 Y 0.03 V 0.02 W 0.02 F 0.01 HN Overlap>> 1.V38 3.V37 1.V38 3.V37 C Shift Assignments>> C :: 172.11 CA :: 56.60 CB :: 34.74 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 :: 6.17 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.29 Ave N Shift Values>> N :: 121.14(4.54) 2.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.22 W 0.22 C 0.22 M 0.15 K 0.13 V 0.01 HN Overlap>> 1.C39 3.C38 1.C39 3.C38 C Shift Assignments>> CA :: 56.69 CB :: 30.75 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.97 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 :: 121.69 Ave N Shift Values>> N :: 120.17(4.64) 2.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.41 V 0.35 C 0.15 W 0.03 I 0.02 C Shift Assignments>> C :: 176.18 CA :: 63.07 CB :: 31.66 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) 2.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 V 0.2 E 0.1 I 0.08 K 0.07 M 0.05 Y 0.04 F 0.01 W 0.01 HN Overlap>> 1.I41 3.I40 1.I41 3.I40 C Shift Assignments>> C :: 178.12 CA :: 60.47 CB :: 34.89 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 :: 8.72 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.03 Ave N Shift Values>> N :: 121.46(4.28) 2.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.22 M 0.16 W 0.12 V 0.1 E 0.08 HN Overlap>> 1.C42 3.C41 1.C42 3.C41 C Shift Assignments>> C :: 177.64 CA :: 58.42 CB :: 32.53 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.83 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 :: 121.29 Ave N Shift Values>> N :: 120.17(4.64) 2.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 C 0.02 HN Overlap>> 1.G43 3.G42 1.G43 3.G42 C Shift Assignments>> C :: 173.26 CA :: 45.38 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.89 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.97 Ave N Shift Values>> N :: 109.67(3.87) 2.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 HN Overlap>> 1.A44 3.A43 1.A44 3.A43 C Shift Assignments>> CA :: 50.75 CB :: 19.03 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.14 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.76 Ave N Shift Values>> N :: 123.23(3.54) 2.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.37 C 0.26 P 0.18 W 0.07 K 0.04 E 0.02 M 0.02 C Shift Assignments>> C :: 177.12 CA :: 61.48 CB :: 32.31 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) 2.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 V 0.24 K 0.13 W 0.12 M 0.07 E 0.06 P 0.03 C Shift Assignments>> C :: 178.27 CA :: 60.01 CB :: 32.31 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 :: 8.45 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 :: 117.88 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S47 3.S46 1.S47 3.S46 C Shift Assignments>> C :: 175.85 CA :: 59.66 CB :: 61.81 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.91 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 :: 110.12 Ave N Shift Values>> N :: 116.28(3.52) 2.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.21 K 0.15 W 0.14 E 0.09 M 0.02 I 0.01 HN Overlap>> 1.E48 3.E47 1.E48 3.E47 C Shift Assignments>> C :: 173.75 CA :: 54.73 CB :: 27.67 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 :: 8.42 HA :: 4.76 HB2 :: 2.58 HB3 :: 2.00 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.31 Ave N Shift Values>> N :: 120.67(3.48) 2.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 K 0.24 D 0.15 F 0.12 Y 0.08 C 0.06 N 0.01 HN Overlap>> 1.F49 3.F48 1.F49 3.F48 C Shift Assignments>> C :: 177.09 CA :: 56.21 CB :: 42.34 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 :: 7.75 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 :: 118.80 Ave N Shift Values>> N :: 120.45(4.18) 2.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.28 K 0.21 W 0.05 E 0.02 HN Overlap>> 1.E50 3.E49 1.E50 3.E49 C Shift Assignments>> C :: 174.10 CA :: 53.36 CB :: 33.27 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 :: 9.09 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 :: 120.12 Ave N Shift Values>> N :: 120.67(3.48) 2.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.22 E 0.22 M 0.16 K 0.14 V 0.02 C Shift Assignments>> C :: 176.65 CA :: 56.8 CB :: 30.87 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 :: 8.3 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 :: 127.34 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 D 0.25 K 0.17 F 0.07 C 0.05 Y 0.05 N 0.03 G 0.01 C Shift Assignments>> C :: 176.71 CA :: 54.55 CB :: 42.41 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 :: 8.636 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 :: 128.92 Ave N Shift Values>> N :: 121.86(3.9) 2.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.22 E 0.21 M 0.19 K 0.13 C Shift Assignments>> C :: 174.78 CA :: 55.57 CB :: 30.72 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 :: 8.15 HA :: 4.29 HB2 :: 2.12 HB3 :: 1.82 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.99 Ave N Shift Values>> N :: 120.67(3.48) 2.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.23 D 0.2 F 0.11 Y 0.07 C 0.05 N 0.02 C Shift Assignments>> CA :: 55.62 CB :: 42.01 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 :: 7.92 HA :: 4.29 HB2 :: 2.627 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 :: 126.99 Ave N Shift Values>> N :: 120.65(3.86) 3.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.02 C 0.01 L 0.01 HN Overlap>> 1.A2 1.A2 2.A2 2.A2 C Shift Assignments>> C :: 175.84 CA :: 51.13 CB :: 19.94 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.92 HA :: 4.64 HB1 :: 1.46 HB2 :: 1.46 HB3 :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.82 Ave N Shift Values>> N :: 123.23(3.54) 3.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.22 M 0.2 N 0.12 K 0.07 Y 0.05 F 0.03 C Shift Assignments>> C :: 174.46 CA :: 54.46 CB :: 35.81 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 :: 8.67 HA :: 5.58 HB2 :: 1.54 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 :: 117.83 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 3.W3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 C 0.21 K 0.19 W 0.15 E 0.13 V 0.01 C Shift Assignments>> C :: 173.90 CA :: 55.16 CB :: 31.55 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 :: 9.42 HA :: 4.98 HE1 :: 9.74 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 :: 123.55 NE1 :: 130.68 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 3.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.27 M 0.12 K 0.09 Y 0.07 I 0.04 F 0.03 V 0.03 HN Overlap>> 2.V5 2.V5 C Shift Assignments>> C :: 172.81 CA :: 58.12 CB :: 35.48 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 :: 9.74 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 :: 123.28 Ave N Shift Values>> N :: 121.14(4.54) 3.C5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 W 0.25 E 0.19 K 0.07 V 0.06 M 0.05 I 0.05 HN Overlap>> 1.C6 1.C6 2.C6 2.C6 C Shift Assignments>> C :: 178.85 CA :: 59.24 CB :: 30.39 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.23 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 :: 131.23 Ave N Shift Values>> N :: 120.17(4.64) 3.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 W 0.18 K 0.16 E 0.15 M 0.14 V 0.07 HN Overlap>> 1.K7 1.K7 2.K7 2.K7 C Shift Assignments>> C :: 176.43 CA :: 58.43 CB :: 31.53 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 :: 9.07 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 :: 131.28 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 3.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 V 0.33 I 0.12 E 0.04 K 0.03 Y 0.02 M 0.02 P 0.01 F 0.01 W 0.01 HN Overlap>> 1.I8 1.I8 2.I8 2.I8 C Shift Assignments>> C :: 178.36 CA :: 61.75 CB :: 34.84 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 :: 9.08 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.14 Ave N Shift Values>> N :: 121.46(4.28) 3.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.24 M 0.18 V 0.11 W 0.08 E 0.05 HN Overlap>> 1.C9 1.C9 2.C9 2.C9 C Shift Assignments>> C :: 178.011 CA :: 58.44 CB :: 33.17 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.32 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 :: 122.15 Ave N Shift Values>> N :: 120.17(4.64) 3.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 C Shift Assignments>> C :: 173.99 CA :: 45.33 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.04 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.47 Ave N Shift Values>> N :: 109.67(3.87) 3.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.27 I 0.24 C 0.15 L 0.01 D 0.01 HN Overlap>> 1.Y11 1.Y11 2.Y11 2.Y11 C Shift Assignments>> C :: 173.08 CA :: 59.81 CB :: 39.64 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 :: 9.38 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 :: 128.36 Ave N Shift Values>> N :: 120.52(4.2) 3.I11 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 0.17 E 0.02 D 0.02 L 0.02 HN Overlap>> 2.I12 2.I12 C Shift Assignments>> C :: 175.33 CA :: 58.63 CB :: 38.78 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.03 HA :: 4.76 HB :: 1.46 HG21 :: 0.65 HG22 :: 0.65 HG23 :: 0.65 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 :: 126.19 Ave N Shift Values>> N :: 121.46(4.28) 3.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.25 C 0.18 I 0.09 D 0.05 N 0.04 L 0.03 E 0.03 M 0.01 C Shift Assignments>> CA :: 57.34 CB :: 38.67 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 :: 9.7 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 :: 127.38 Ave N Shift Values>> N :: 120.52(4.2) 3.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.21 N 0.18 C 0.06 K 0.05 F 0.03 Y 0.02 G 0.01 HN Overlap>> 1.D14 1.D14 2.D14 2.D14 C Shift Assignments>> C :: 176.47 CA :: 50.97 CB :: 41.75 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 :: 8.58 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 :: 129.92 Ave N Shift Values>> N :: 120.65(3.86) 3.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.25 C 0.24 E 0.23 K 0.12 M 0.06 I 0.04 V 0.03 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 177.73 CA :: 58.37 CB :: 30.1 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 :: 8.42 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 :: 124.46 Ave N Shift Values>> N :: 120.67(3.48) 3.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 D 0.15 L 0.15 C 0.1 K 0.07 I 0.03 N 0.03 HN Overlap>> 1.D16 1.D16 2.D16 2.D16 C Shift Assignments>> C :: 177.59 CA :: 56.80 CB :: 40.55 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 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 :: 114.14 Ave N Shift Values>> N :: 120.65(3.86) 3.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 179.79 CA :: 52.02 CB :: 19.70 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.22 HA :: 4.29 HB1 :: 1.47 HB2 :: 1.47 HB3 :: 1.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.14 Ave N Shift Values>> N :: 123.23(3.54) 3.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.31 C 0.05 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.27 CA :: 44.36 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3 HA2 :: 3.98 HA3 :: 3.58 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.26 Ave N Shift Values>> N :: 109.67(3.87) 3.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.32 L 0.1 C 0.06 F 0.05 Y 0.04 HN Overlap>> 2.D19 2.D19 C Shift Assignments>> CA :: 52.24 CB :: 40.14 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 :: 8.26 HA :: 5.16 HB3 :: 2.98 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 :: 116.85 Ave N Shift Values>> N :: 120.65(3.86) 3.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.43 P 0.42 C 0.1 I 0.02 W 0.01 C Shift Assignments>> C :: 180.06 CA :: 64.99 CB :: 31.53 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) 3.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 D 0.15 C 0.12 L 0.09 N 0.07 I 0.04 HN Overlap>> 1.D21 1.D21 2.D21 2.D21 C Shift Assignments>> C :: 177.04 CA :: 56.48 CB :: 39.60 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 :: 9.21 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.46 Ave N Shift Values>> N :: 120.65(3.86) 3.N21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.61 D 0.16 C 0.08 F 0.04 Y 0.04 L 0.03 HN Overlap>> 1.N22 1.N22 2.N22 2.N22 C Shift Assignments>> C :: 175.19 CA :: 52.03 CB :: 38.87 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 :: 7.67 HD21 :: 9.36(S) HD22 :: 6.98 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 :: 114.94 ND2 :: 119.63 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 3.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 HN Overlap>> 1.G23 1.G23 2.G23 2.G23 C Shift Assignments>> C :: 173.80 CA :: 45.57 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.76 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.03 Ave N Shift Values>> N :: 109.67(3.87) 3.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.28 M 0.15 K 0.1 Y 0.06 F 0.03 I 0.02 V 0.02 HN Overlap>> 1.I24 1.I24 2.I24 2.I24 C Shift Assignments>> C :: 176.47 CA :: 57.37 CB :: 35.46 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.60 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 :: 121.84 Ave N Shift Values>> N :: 121.46(4.28) 3.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S25 1.S25 2.S25 2.S25 C Shift Assignments>> CA :: 57.27 CB :: 61.71 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.65 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 :: 125.04 Ave N Shift Values>> N :: 116.28(3.52) 3.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.33 C 0.13 I 0.04 W 0.02 C Shift Assignments>> C :: 176.69 CA :: 63.79 CB :: 31.20 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) 3.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.12 C 0.03 F 0.01 HN Overlap>> 2.G27 2.G27 C Shift Assignments>> C :: 174.36 CA :: 45.14 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.22 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.79 Ave N Shift Values>> N :: 109.67(3.87) 3.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T28 1.T28 C Shift Assignments>> C :: 174.48 CA :: 62.52 CB :: 68.01 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 :: 7.1 HB :: 4.04 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 :: 117.1 Ave N Shift Values>> N :: 115.42(4.75) 3.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.21 K 0.21 W 0.15 E 0.12 V 0.01 HN Overlap>> 2.K29 2.K29 C Shift Assignments>> C :: 177.40 CA :: 55.81 CB :: 31.77 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 :: 8.76 HA :: 4.27 HG2 :: 1.41 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 :: 130.03 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 3.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.21 Y 0.2 F 0.15 E 0.03 HN Overlap>> 1.F30 1.F30 C Shift Assignments>> C :: 178.77 CA :: 60.65 CB :: 37.95 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 :: 9.85 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 :: 125.97 Ave N Shift Values>> N :: 120.45(4.18) 3.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.19 K 0.19 E 0.15 I 0.13 L 0.06 M 0.01 C Shift Assignments>> C :: 176.82 CA :: 58.27 CB :: 28.13 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 :: 9.39 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 :: 114.68 Ave N Shift Values>> N :: 120.67(3.48) 3.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 W 0.21 C 0.21 E 0.18 M 0.1 L 0.02 HN Overlap>> 1.E32 1.E32 2.E32 2.E32 C Shift Assignments>> C :: 176.76 CA :: 54.69 CB :: 29.40 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 :: 7.41 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 :: 116.37 Ave N Shift Values>> N :: 120.67(3.48) 3.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.22 C 0.07 F 0.06 L 0.06 Y 0.06 HN Overlap>> 1.L33 1.L33 2.L33 2.L33 C Shift Assignments>> CA :: 52.85 CB :: 39.29 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 :: 6.82 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.86 Ave N Shift Values>> N :: 121.86(3.9) 3.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.37 P 0.29 C 0.21 W 0.05 K 0.02 I 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 177.03 CA :: 62.12 CB :: 32.02 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) 3.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.17 L 0.12 C 0.11 N 0.06 I 0.03 K 0.01 HN Overlap>> 1.D35 1.D35 2.D35 2.D35 C Shift Assignments>> C :: 176.47 CA :: 56.42 CB :: 39.93 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 :: 8.71 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.66 Ave N Shift Values>> N :: 120.65(3.86) 3.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.19 C 0.07 F 0.04 L 0.04 Y 0.04 HN Overlap>> 1.D36 1.D36 2.D36 2.D36 C Shift Assignments>> C :: 175.57 CA :: 51.96 CB :: 39.09 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 :: 8.18 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 :: 114.26 Ave N Shift Values>> N :: 120.65(3.86) 3.W36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 W 0.21 I 0.16 E 0.15 K 0.14 V 0.02 M 0.02 HN Overlap>> 1.W37 1.W37 2.W37 2.W37 C Shift Assignments>> C :: 174.90 CA :: 59.71 CB :: 29.22 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.61 HE1 :: 10.46 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 :: 123.42 NE1 :: 129.59 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 3.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 M 0.25 K 0.18 E 0.17 Y 0.03 V 0.02 W 0.02 F 0.01 HN Overlap>> 1.V38 1.V38 2.V38 2.V38 C Shift Assignments>> C :: 172.11 CA :: 56.60 CB :: 34.74 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 :: 6.17 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.29 Ave N Shift Values>> N :: 121.14(4.54) 3.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.22 W 0.22 C 0.22 M 0.15 K 0.13 V 0.01 HN Overlap>> 1.C39 1.C39 2.C39 2.C39 C Shift Assignments>> CA :: 56.69 CB :: 30.75 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.97 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 :: 121.69 Ave N Shift Values>> N :: 120.17(4.64) 3.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.41 V 0.35 C 0.15 W 0.03 I 0.02 C Shift Assignments>> C :: 176.18 CA :: 63.07 CB :: 31.66 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) 3.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 V 0.2 E 0.1 I 0.08 K 0.07 M 0.05 Y 0.04 F 0.01 W 0.01 HN Overlap>> 1.I41 1.I41 2.I41 2.I41 C Shift Assignments>> C :: 178.12 CA :: 60.47 CB :: 34.89 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 :: 8.72 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.03 Ave N Shift Values>> N :: 121.46(4.28) 3.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.22 M 0.16 W 0.12 V 0.1 E 0.08 HN Overlap>> 1.C42 1.C42 2.C42 2.C42 C Shift Assignments>> C :: 177.64 CA :: 58.42 CB :: 32.53 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.83 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 :: 121.29 Ave N Shift Values>> N :: 120.17(4.64) 3.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 C 0.02 HN Overlap>> 1.G43 1.G43 2.G43 2.G43 C Shift Assignments>> C :: 173.26 CA :: 45.38 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.89 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.97 Ave N Shift Values>> N :: 109.67(3.87) 3.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 HN Overlap>> 1.A44 1.A44 2.A44 2.A44 C Shift Assignments>> CA :: 50.75 CB :: 19.03 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.14 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.76 Ave N Shift Values>> N :: 123.23(3.54) 3.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.37 C 0.26 P 0.18 W 0.07 K 0.04 E 0.02 M 0.02 C Shift Assignments>> C :: 177.16 CA :: 61.48 CB :: 32.31 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) 3.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 V 0.23 W 0.13 K 0.12 M 0.07 E 0.06 P 0.03 HN Overlap>> 1.K46 1.K46 C Shift Assignments>> C :: 178.27 CA :: 60.03 CB :: 32.21 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 :: 8.51 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 :: 117.57 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 3.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S47 1.S47 2.S47 2.S47 C Shift Assignments>> C :: 175.85 CA :: 59.66 CB :: 61.81 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.91 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 :: 110.12 Ave N Shift Values>> N :: 116.28(3.52) 3.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.21 K 0.15 W 0.14 E 0.09 M 0.02 I 0.01 HN Overlap>> 1.E48 1.E48 2.E48 2.E48 C Shift Assignments>> C :: 173.75 CA :: 54.73 CB :: 27.67 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 :: 8.42 HA :: 4.76 HB2 :: 2.58 HB3 :: 2.00 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.31 Ave N Shift Values>> N :: 120.67(3.48) 3.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 K 0.24 D 0.15 F 0.12 Y 0.08 C 0.06 N 0.01 HN Overlap>> 1.F49 1.F49 2.F49 2.F49 C Shift Assignments>> C :: 177.09 CA :: 56.21 CB :: 42.34 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 :: 7.75 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 :: 118.80 Ave N Shift Values>> N :: 120.45(4.18) 3.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.28 K 0.21 W 0.05 E 0.02 HN Overlap>> 1.E50 1.E50 2.E50 2.E50 C Shift Assignments>> C :: 174.10 CA :: 53.34 CB :: 33.22 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 :: 9.09 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 :: 120.12 Ave N Shift Values>> N :: 120.67(3.48) 3.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.22 E 0.22 M 0.16 K 0.14 V 0.02 HN Overlap>> 1.K51 1.K51 C Shift Assignments>> C :: 176.65 CA :: 56.8 CB :: 30.87 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 :: 8.31 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 :: 127.52 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 3.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 D 0.25 K 0.16 F 0.07 C 0.05 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 176.65 CA :: 54.41 CB :: 42.54 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 :: 8.76 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 :: 129.56 Ave N Shift Values>> N :: 121.86(3.9) 3.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.21 M 0.2 E 0.19 K 0.14 C Shift Assignments>> C :: 174.82 CA :: 55.47 CB :: 30.84 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 :: 8.05 HA :: 4.29 HB2 :: 2.12 HB3 :: 1.88 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 :: 120.8 Ave N Shift Values>> N :: 120.67(3.48) 3.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.22 K 0.21 F 0.11 Y 0.08 C 0.05 N 0.03 HN Overlap>> 1.D54 1.D54 C Shift Assignments>> CA :: 55.47 CB :: 41.7 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 :: 8.01 HA :: 4.33 HB2 :: 2.47 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 :: 127.23 Ave N Shift Values>> N :: 120.65(3.86) 4.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 148 #Clerical: 0 #Suspicious: 8 #Anomalous: 4 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 158 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 160 #Suspicious: 0 C Shift Results: #Consistent: 541 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 H Shift Results: #Consistent: 505 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 3 N Shift Results: #Consistent: 158 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.W4 CG = 102.53(A), Expected = 110.59, Std = 1.8800, ChiSquare = 1.8091e-05 1.C6 HA = 2.81(S), Expected = 4.66, Std = 0.5500, ChiSquare = 7.6923e-04 1.D21 HB3 = 1.50(S), Expected = 2.66, Std = 0.2800, ChiSquare = 3.4301e-05 1.N22 HD21 = 9.36(S), Expected = 7.35, Std = 0.4800, ChiSquare = 2.8204e-05 1.F30 Typing: Suspicious 1.F30 CG = 127.84(A), Expected = 138.41, Std = 2.0400, ChiSquare = 2.2026e-07 1.F30 HD1 = 5.66(S), Expected = 7.06, Std = 0.3100, ChiSquare = 6.2980e-06 1.F30 HD2 = 5.66(S), Expected = 7.06, Std = 0.3100, ChiSquare = 6.2980e-06 1.L33 HB3 = 0.22(S), Expected = 1.52, Std = 0.3600, ChiSquare = 3.0489e-04 1.L33 HD11 = -1.76(A), Expected = 0.75, Std = 0.2800, ChiSquare = 3.1230e-19 1.L33 HD12 = -1.76(A), Expected = 0.75, Std = 0.2800, ChiSquare = 3.1230e-19 1.L33 HD13 = -1.76(A), Expected = 0.75, Std = 0.2800, ChiSquare = 3.1230e-19 1.W37 CG = 104.69(A), Expected = 110.59, Std = 1.8800, ChiSquare = 1.6993e-03 1.I41 HB = 2.75(S), Expected = 1.78, Std = 0.2900, ChiSquare = 8.2334e-04 1.K46 HE3 = 2.06(S), Expected = 2.91, Std = 0.2000, ChiSquare = 2.1377e-05 1.K51 HB3 = 0.01(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.4801e-10 1.K51 HG3 = 0.06(S), Expected = 1.35, Std = 0.2800, ChiSquare = 4.0824e-06 2.N22 HD21 = 9.36(S), Expected = 7.35, Std = 0.4800, ChiSquare = 2.8204e-05 3.N21 HD21 = 9.36(S), Expected = 7.35, Std = 0.4800, ChiSquare = 2.8204e-05