Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.47 C 0.33 Q 0.15 K 0.02 C Shift Assignments>> C :: 176.5 CA :: 55.5 CB :: 32.6 CG :: 31.9 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.46 HB2 :: 1.97 HB3 :: 2.06 HG2 :: 2.45 HG3 :: 2.55 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.4 CA :: 45.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.45 HA2 :: 3.96 HA3 :: 3.96 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3 Ave N Shift Values>> N :: 109.67(3.87) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.2 CA :: 45.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.22 HA2 :: 3.97 HA3 :: 3.97 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6 Ave N Shift Values>> N :: 109.67(3.87) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 M 0.11 Q 0.04 K 0.04 I 0.02 C Shift Assignments>> C :: 176.5 CA :: 57.2 CB :: 30.6 CG :: 36.3 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 :: 8.44 HA :: 4.26 HB2 :: 1.95 HB3 :: 2.03 HG2 :: 2.27 HG3 :: 2.27 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 :: 120.3 Ave N Shift Values>> N :: 120.67(3.48) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.28 R 0.21 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.5 CA :: 44.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.95 HA2 :: 3.34 HA3 :: 3.91 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4 Ave N Shift Values>> N :: 109.67(3.87) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.36 C 0.25 HN Overlap>> 1.E81 1.E81 C Shift Assignments>> C :: 173.3 CA :: 55.5 CB :: 37.8 CD1 :: 132.0 CD2 :: 132.0 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.57 HA :: 4.87 HB2 :: 2.59 HB3 :: 3.07 HD1 :: 7.14 HD2 :: 7.14 HE1 :: 7.38 HE2 :: 7.38 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 :: 123.8 Ave N Shift Values>> N :: 120.45(4.18) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.15 C Shift Assignments>> C :: 175.7 CA :: 60.5 CB :: 37.0 CG1 :: 23.0 CG2 :: 21.7 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.57 HA :: 5.11 HB :: 1.51 HG11 :: 1.01 HG12 :: 1.01 HG13 :: 1.01 HG21 :: 0.83 HG22 :: 0.83 HG23 :: 0.83 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 :: 123.3 Ave N Shift Values>> N :: 121.14(4.54) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.13 A 0.01 C Shift Assignments>> C :: 173.4 CA :: 58.7 CB :: 34.3 CG1 :: 22.6 CG2 :: 18.3 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.60 HA :: 5.05 HB :: 2.12 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 HG21 :: 0.50 HG22 :: 0.50 HG23 :: 0.50 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 :: 116.4 Ave N Shift Values>> N :: 121.14(4.54) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.1 C Shift Assignments>> C :: 174.1 CA :: 54.4 CB :: 35.8 CG :: 25.0 CD :: 29.3 CE :: 41.8 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 :: 9.34 HA :: 4.94 HB2 :: 1.38 HB3 :: 1.59 HG2 :: 0.62 HG3 :: 0.92 HD2 :: 1.35 HD3 :: 1.35 HE2 :: 2.35 HE3 :: 2.65 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 174.7 CA :: 58.8 CB :: 34.7 CG1 :: 22.4 CG2 :: 21.9 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 :: 9.10 HA :: 5.53 HB :: 1.87 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 0.90 HG22 :: 0.90 HG23 :: 0.90 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 :: 123.2 Ave N Shift Values>> N :: 121.14(4.54) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.29 R 0.16 K 0.02 HN Overlap>> 1.F83 1.F83 C Shift Assignments>> C :: 174.4 CA :: 54.9 CB :: 34.7 CG :: 27.2 CD :: 44.0 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.16 HA :: 5.11 HB2 :: 1.89 HB3 :: 1.92 HG2 :: 1.70 HG3 :: 1.70 HD2 :: 3.21 HD3 :: 3.21 HE :: 7.50 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.5 NE :: 84.2 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.6 CA :: 45.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.95 HA2 :: 3.65 HA3 :: 4.60 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3 Ave N Shift Values>> N :: 109.67(3.87) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.2 A 0.13 C Shift Assignments>> CA :: 53.0 CB :: 40.7 CG :: 26.9 CD1 :: 26.3 CD2 :: 22.8 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 :: 8.50 HA :: 4.09 HB2 :: 1.28 HB3 :: 1.46 HG :: 1.47 HD11 :: 0.63 HD12 :: 0.63 HD13 :: 0.63 HD21 :: 0.62 HD22 :: 0.62 HD23 :: 0.62 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 :: 118.9 Ave N Shift Values>> N :: 121.86(3.9) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 178.1 CA :: 62.5 CB :: 32.0 CG :: 27.6 CD :: 50.5 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 :: 4.35 HB2 :: 1.77 HB3 :: 2.26 HG2 :: 1.91 HG3 :: 1.91 HD2 :: 3.42 HD3 :: 3.65 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> C :: 176.9 CA :: 59.0 CB :: 28.3 CD1 :: 126.6 CE3 :: 120.7 CZ2 :: 114.6 CZ3 :: 122.1 CH2 :: 124.7 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.40 HA :: 4.24 HB2 :: 3.22 HB3 :: 3.31 HD1 :: 7.22 HE1 :: 10.08 HE3 :: 7.50 HZ2 :: 7.50 HZ3 :: 7.11 HH2 :: 7.22 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 :: 123.7 NE1 :: 129.3 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1 CA :: 57.2 CB :: 62.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.36 HA :: 4.06 HB2 :: 3.10 HB3 :: 3.74 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 :: 111.2 Ave N Shift Values>> N :: 116.28(3.52) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 C 0.19 W 0.12 R 0.1 K 0.09 Q 0.08 E 0.07 H 0.06 L 0.02 C Shift Assignments>> C :: 173.3 CA :: 59.5 CB :: 28.0 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.35 HA :: 4.44 HB2 :: 2.74 HB3 :: 2.83 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 :: 121.5 Ave N Shift Values>> N :: 120.17(4.64) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 176.1 CA :: 56.3 CB :: 66.7 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 :: 4.85 HB2 :: 4.04 HB3 :: 4.41 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 :: 120.6 Ave N Shift Values>> N :: 116.28(3.52) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.21 I 0.1 C 0.04 V 0.01 C Shift Assignments>> C :: 179.5 CA :: 56.3 CB :: 18.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.56 HA :: 4.18 HB1 :: 1.73 HB2 :: 1.73 HB3 :: 1.73 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0 Ave N Shift Values>> N :: 123.23(3.54) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.11 K 0.11 C 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 178.5 CA :: 57.4 CB :: 40.8 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 :: 8.52 HA :: 4.43 HB2 :: 2.65 HB3 :: 2.65 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 :: 116.6 Ave N Shift Values>> N :: 120.65(3.86) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.24 E 0.23 M 0.01 K 0.01 C Shift Assignments>> C :: 179.8 CA :: 59.7 CB :: 30.1 CG :: 37.6 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 :: 7.79 HA :: 3.94 HB2 :: 2.01 HB3 :: 2.44 HG2 :: 2.29 HG3 :: 2.35 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 120.67(3.48) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 177.5 CA :: 67.1 CB :: 31.4 CG1 :: 22.4 CG2 :: 24.4 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.81 HA :: 3.55 HB :: 2.36 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 1.05 HG22 :: 1.05 HG23 :: 1.05 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 121.14(4.54) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 Q 0.28 E 0.12 HN Overlap>> 1.L94 1.L94 C Shift Assignments>> C :: 178.1 CA :: 60.1 CB :: 29.0 CG :: 35.0 CD :: 179.1 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.53 HA :: 3.88 HB2 :: 2.08 HB3 :: 2.24 HG2 :: 2.20 HG3 :: 2.37 HE21 :: 7.36 HE22 :: 6.73 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.7 NE2 :: 109.8 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.39 G 0.08 K 0.06 C Shift Assignments>> C :: 179.0 CA :: 58.8 CB :: 30.2 CG :: 28.2 CD :: 43.5 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.87 HA :: 4.05 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 1.66 HG3 :: 1.84 HD2 :: 3.18 HD3 :: 3.26 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.8 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 177.1 CA :: 61.2 CB :: 39.1 CD1 :: 131.3 CD2 :: 131.2 CE1 :: 131.2 CE2 :: 131.2 CZ :: 130.1 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 :: 7.90 HA :: 4.23 HB2 :: 3.01 HB3 :: 3.09 HD1 :: 6.38 HD2 :: 6.38 HE1 :: 6.71 HE2 :: 6.71 HZ :: 7.01 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 :: 122.9 Ave N Shift Values>> N :: 120.45(4.18) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 177.6 CA :: 57.0 CB :: 37.7 CD1 :: 131.9 CD2 :: 131.9 CE1 :: 130.6 CE2 :: 130.6 CZ :: 128.4 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 :: 7.63 HA :: 4.70 HB2 :: 2.70 HB3 :: 3.49 HD1 :: 7.40 HD2 :: 7.40 HE1 :: 7.31 HE2 :: 7.31 HZ :: 7.10 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 120.45(4.18) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1 CA :: 62.0 CB :: 63.0 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.00 HA :: 4.13 HB2 :: 4.00 HB3 :: 4.27 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.9 Ave N Shift Values>> N :: 116.28(3.52) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.23 L 0.14 F 0.11 Y 0.09 C 0.07 K 0.01 C Shift Assignments>> C :: 175.4 CA :: 54.2 CB :: 40.1 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 :: 8.85 HA :: 4.59 HB2 :: 2.76 HB3 :: 2.76 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 120.65(3.86) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.15 E 0.14 R 0.14 H 0.13 Q 0.09 K 0.07 M 0.06 V 0.02 I 0.01 C Shift Assignments>> C :: 174.4 CA :: 58.0 CB :: 30.7 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.04 HA :: 4.79 HB2 :: 2.60 HB3 :: 2.95 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 :: 116.9 Ave N Shift Values>> N :: 120.17(4.64) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.33 R 0.19 C Shift Assignments>> C :: 174.8 CA :: 55.5 CB :: 31.2 CG :: 24.5 CD :: 29.0 CE :: 42.1 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 :: 9.25 HA :: 4.39 HB2 :: 1.52 HB3 :: 1.60 HG2 :: 1.28 HG3 :: 1.43 HD2 :: 1.54 HD3 :: 1.64 HE2 :: 2.96 HE3 :: 2.96 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 :: 124.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 177.8 CA :: 61.6 CB :: 38.8 CG1 :: 28.1 CG2 :: 17.3 CD1 :: 14.1 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 :: 8.16 HA :: 4.05 HB :: 1.64 HG12 :: 0.64 HG13 :: 1.54 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 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 :: 127.5 Ave N Shift Values>> N :: 121.46(4.28) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 C 0.45 E 0.04 C Shift Assignments>> C :: 175.2 CA :: 56.9 CB :: 29.2 CG :: 33.4 CD :: 179.6 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.93 HA :: 4.05 HB2 :: 1.48 HB3 :: 1.76 HG2 :: 2.07 HG3 :: 2.23 HE21 :: 7.32 HE22 :: 6.76 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 131.7 NE2 :: 111.2 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.3 D 0.17 E 0.02 C Shift Assignments>> C :: 176.1 CA :: 54.4 CB :: 37.5 CG :: 178.3 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 :: 9.21 HA :: 4.29 HB2 :: 2.84 HB3 :: 2.96 HD21 :: 7.66 HD22 :: 6.95 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.1 ND2 :: 114.6 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.7 CA :: 46.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.98 HA2 :: 3.51 HA3 :: 3.86 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2 Ave N Shift Values>> N :: 109.67(3.87) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 I 0.02 C 0.02 C Shift Assignments>> C :: 179.3 CA :: 54.9 CB :: 18.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.81 HA :: 3.85 HB1 :: 1.45 HB2 :: 1.45 HB3 :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.7 Ave N Shift Values>> N :: 123.23(3.54) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.34 E 0.26 C Shift Assignments>> C :: 177.2 CA :: 57.4 CB :: 28.7 CG :: 35.0 CD :: 180.4 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.62 HA :: 4.24 HB2 :: 2.15 HB3 :: 2.25 HG2 :: 2.48 HG3 :: 2.52 HE21 :: 7.62 HE22 :: 6.90 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.3 NE2 :: 112.4 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.4 CA :: 45.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.20 HA2 :: 4.14 HA3 :: 4.40 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3 Ave N Shift Values>> N :: 109.67(3.87) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 174.6 CA :: 60.0 CB :: 38.2 CG1 :: 28.1 CG2 :: 17.4 CD1 :: 15.3 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 :: 7.04 HA :: 4.46 HB :: 1.88 HG12 :: 0.96 HG13 :: 1.60 HG21 :: 0.22 HG22 :: 0.22 HG23 :: 0.22 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 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 :: 119.7 Ave N Shift Values>> N :: 121.46(4.28) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 C 0.26 G 0.09 K 0.04 C Shift Assignments>> C :: 175.4 CA :: 53.0 CB :: 30.7 CG :: 26.8 CD :: 43.1 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.14 HA :: 4.80 HB2 :: 1.89 HB3 :: 1.95 HG2 :: 1.59 HG3 :: 1.70 HD2 :: 3.15 HD3 :: 3.21 HE :: 7.37 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.0 NE :: 85.1 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 173.9 CA :: 59.7 CB :: 39.4 CD1 :: 131.7 CD2 :: 131.7 CE1 :: 130.8 CE2 :: 130.8 CZ :: 128.8 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.54 HA :: 4.34 HB2 :: 2.72 HB3 :: 2.82 HD1 :: 7.32 HD2 :: 7.32 HE1 :: 7.10 HE2 :: 7.10 HZ :: 6.75 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 :: 123.1 Ave N Shift Values>> N :: 120.45(4.18) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 176.6 CA :: 59.5 CB :: 38.0 CG1 :: 27.6 CG2 :: 17.8 CD1 :: 12.8 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 :: 7.55 HA :: 4.46 HB :: 1.64 HG12 :: 1.14 HG13 :: 1.49 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 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 :: 119.5 Ave N Shift Values>> N :: 121.46(4.28) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.24 C Shift Assignments>> C :: 176.8 CA :: 57.6 CB :: 41.5 CD1 :: 132.9 CD2 :: 132.9 CE1 :: 118.1 CE2 :: 118.1 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 :: 9.59 HA :: 5.16 HB2 :: 2.84 HB3 :: 2.92 HD1 :: 6.90 HD2 :: 6.90 HE1 :: 6.79 HE2 :: 6.79 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 :: 129.9 Ave N Shift Values>> N :: 120.52(4.2) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 177.3 CA :: 60.6 CB :: 71.8 CG2 :: 21.6 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 :: 9.40 HA :: 4.61 HB :: 4.82 HG21 :: 1.25 HG22 :: 1.25 HG23 :: 1.25 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.1 Ave N Shift Values>> N :: 115.42(4.75) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.44 G 0.05 K 0.04 C Shift Assignments>> C :: 176.9 CA :: 58.7 CB :: 29.6 CG :: 27.5 CD :: 43.2 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.11 HA :: 3.91 HB2 :: 1.86 HB3 :: 1.91 HG2 :: 1.70 HG3 :: 1.70 HD2 :: 3.22 HD3 :: 3.22 HE :: 7.23 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.37 I 0.07 K 0.06 M 0.02 Q 0.02 HN Overlap>> 1.E59 1.E59 C Shift Assignments>> C :: 176.7 CA :: 56.7 CB :: 29.4 CG :: 36.9 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 :: 7.78 HA :: 4.32 HB2 :: 1.84 HB3 :: 2.20 HG2 :: 2.21 HG3 :: 2.35 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 :: 114.3 Ave N Shift Values>> N :: 120.67(3.48) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.7 CA :: 45.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.24 HA2 :: 3.56 HA3 :: 4.21 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5 Ave N Shift Values>> N :: 109.67(3.87) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 C 0.26 G 0.09 K 0.03 C Shift Assignments>> CA :: 53.2 CB :: 30.2 CG :: 27.2 CD :: 43.2 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.31 HA :: 4.87 HB2 :: 1.62 HB3 :: 1.79 HG2 :: 1.54 HG3 :: 1.54 HD2 :: 3.00 HD3 :: 3.00 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.9 CA :: 63.9 CB :: 32.2 CG :: 28.3 CD :: 50.6 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 :: 4.22 HB2 :: 1.88 HB3 :: 2.23 HG2 :: 1.89 HG3 :: 2.19 HD2 :: 3.48 HD3 :: 3.97 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 176.3 CA :: 59.5 CB :: 66.1 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 :: 4.26 HB2 :: 3.61 HB3 :: 4.09 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 116.28(3.52) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.2 CA :: 45.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.00 HA2 :: 3.79 HA3 :: 4.56 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.1 Ave N Shift Values>> N :: 109.67(3.87) 1.E53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.75 M 0.17 E 0.06 C Shift Assignments>> C :: 176.5 CA :: 53.5 CB :: 33.9 CG :: 36.9 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 :: 7.89 HA :: 5.64(S) HB2 :: 1.84 HB3 :: 1.84 HG2 :: 2.07 HG3 :: 2.19 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 120.67(3.48) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 L 0.4 C 0.13 K 0.02 C Shift Assignments>> C :: 174.8 CA :: 51.3 CB :: 22.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.66 HA :: 4.86 HB1 :: 0.80 HB2 :: 0.80 HB3 :: 0.80 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 123.23(3.54) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.19 G 0.04 C Shift Assignments>> C :: 174.7 CA :: 57.4 CB :: 42.7 CD1 :: 131.4 CD2 :: 131.4 CE1 :: 131.6 CE2 :: 131.6 CZ :: 129.0 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.90 HA :: 5.37 HB2 :: 2.67 HB3 :: 3.01 HD1 :: 7.09 HD2 :: 7.09 HE1 :: 7.35 HE2 :: 7.35 HZ :: 7.10 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 120.45(4.18) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.2 CA :: 61.1 CB :: 34.0 CG1 :: 21.6 CG2 :: 20.6 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 :: 9.07 HA :: 4.71 HB :: 1.59 HG11 :: 0.44 HG12 :: 0.44 HG13 :: 0.44 HG21 :: 0.57 HG22 :: 0.57 HG23 :: 0.57 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 121.14(4.54) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.25 M 0.17 C Shift Assignments>> C :: 175.5 CA :: 55.9 CB :: 31.9 CG :: 37.6 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 :: 8.89 HA :: 4.75 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.09 HG3 :: 2.36 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.2 Ave N Shift Values>> N :: 120.67(3.48) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.26 C 0.21 R 0.12 C Shift Assignments>> C :: 177.7 CA :: 53.6 CB :: 44.4 CG :: 27.6 CD1 :: 27.2 CD2 :: 25.4 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 :: 9.10 HA :: 5.01 HB2 :: 1.49 HB3 :: 1.74 HG :: 1.49 HD11 :: 0.61 HD12 :: 0.61 HD13 :: 0.61 HD21 :: 0.62 HD22 :: 0.62 HD23 :: 0.62 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 :: 124.4 Ave N Shift Values>> N :: 121.86(3.9) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 E 0.27 M 0.09 I 0.03 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 176.2 CA :: 59.2 CB :: 31.9 CG :: 37.1 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 :: 7.84 HA :: 4.24 HB2 :: 1.77 HB3 :: 2.14 HG2 :: 2.16 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 :: 114.3 Ave N Shift Values>> N :: 120.67(3.48) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 173.7 CA :: 56.7 CB :: 66.2 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.98 HA :: 3.55 HB2 :: 3.75 HB3 :: 3.92 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 :: 107.8 Ave N Shift Values>> N :: 116.28(3.52) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.11 K 0.08 Q 0.05 M 0.02 C Shift Assignments>> C :: 178.5 CA :: 58.9 CB :: 29.5 CG :: 36.1 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 :: 8.37 HA :: 3.75 HB2 :: 1.90 HB3 :: 2.06 HG2 :: 2.33 HG3 :: 2.33 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 :: 121.5 Ave N Shift Values>> N :: 120.67(3.48) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 D 0.1 L 0.1 I 0.06 K 0.02 N 0.02 C Shift Assignments>> C :: 179.0 CA :: 57.4 CB :: 40.1 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 :: 4.30 HB2 :: 2.45 HB3 :: 2.58 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 :: 119.3 Ave N Shift Values>> N :: 120.65(3.86) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 M 0.13 Q 0.07 K 0.04 I 0.02 C Shift Assignments>> C :: 178.4 CA :: 57.8 CB :: 30.8 CG :: 35.9 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 :: 7.33 HA :: 4.14 HB2 :: 2.09 HB3 :: 2.28 HG2 :: 2.55 HG3 :: 2.55 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 120.67(3.48) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 177.2 CA :: 66.7 CB :: 31.2 CG1 :: 21.0 CG2 :: 23.9 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.40 HA :: 3.34 HB :: 2.49 HG11 :: 0.92 HG12 :: 0.92 HG13 :: 0.92 HG21 :: 1.13 HG22 :: 1.13 HG23 :: 1.13 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 121.14(4.54) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.37 R 0.13 C Shift Assignments>> C :: 179.5 CA :: 60.2 CB :: 32.2 CG :: 25.9 CD :: 29.4 CE :: 42.0 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.65 HA :: 3.86 HB2 :: 1.87 HB3 :: 1.93 HG2 :: 1.44 HG3 :: 1.68 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 2.97 HE3 :: 2.97 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 :: 116.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.04 G 0.01 C Shift Assignments>> C :: 179.8 CA :: 57.6 CB :: 42.3 CG :: 26.7 CD1 :: 25.2 CD2 :: 23.4 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.22 HA :: 3.99 HB2 :: 1.46 HB3 :: 1.91 HG :: 1.68 HD11 :: 0.90 HD12 :: 0.90 HD13 :: 0.90 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 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 :: 118.3 Ave N Shift Values>> N :: 121.86(3.9) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.43 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 180.1 CA :: 55.4 CB :: 18.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.35 HA :: 4.11 HB1 :: 1.30 HB2 :: 1.30 HB3 :: 1.30 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.6 Ave N Shift Values>> N :: 123.23(3.54) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.42 R 0.04 C Shift Assignments>> C :: 179.9 CA :: 57.4 CB :: 41.4 CG :: 26.9 CD1 :: 26.4 CD2 :: 22.7 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 :: 8.31 HA :: 3.88 HB2 :: 1.56 HB3 :: 1.87 HG :: 1.90 HD11 :: 0.90 HD12 :: 0.90 HD13 :: 0.90 HD21 :: 0.78 HD22 :: 0.78 HD23 :: 0.78 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 :: 116.0 Ave N Shift Values>> N :: 121.86(3.9) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.45 R 0.09 C Shift Assignments>> C :: 177.5 CA :: 58.0 CB :: 32.0 CG :: 25.2 CD :: 29.2 CE :: 41.8 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.37 HA :: 4.20 HB2 :: 1.98 HB3 :: 1.98 HG2 :: 1.56 HG3 :: 1.81 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 3.00 HE3 :: 3.00 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 :: 117.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.31 K 0.28 C Shift Assignments>> C :: 175.2 CA :: 55.1 CB :: 31.1 CG :: 24.4 CD :: 27.4 CE :: 42.1 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.74 HA :: 4.11 HB2 :: 1.79 HB3 :: 1.96 HG2 :: 1.15 HG3 :: 1.32 HD2 :: 1.10 HD3 :: 1.24 HE2 :: 2.43 HE3 :: 2.62 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 :: 117.1 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.19 R 0.16 F 0.14 Y 0.1 D 0.07 C 0.06 I 0.01 C Shift Assignments>> C :: 176.4 CA :: 57.4 CB :: 42.3 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 :: 7.25 HA :: 4.29 HB2 :: 2.62 HB3 :: 2.94 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 :: 117.1 Ave N Shift Values>> N :: 120.65(3.86) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.13 K 0.11 L 0.1 G 0.07 C Shift Assignments>> C :: 176.1 CA :: 58.8 CB :: 26.9 CG :: 28.5 CD :: 43.2 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.18 HA :: 3.69 HB2 :: 2.02 HB3 :: 2.07 HG2 :: 1.41 HG3 :: 1.61 HD2 :: 3.03 HD3 :: 3.03 HE :: 7.22 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.1 NE :: 85.1 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.41 I 0.06 M 0.04 K 0.03 C Shift Assignments>> C :: 175.7 CA :: 56.7 CB :: 30.0 CG :: 37.3 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 :: 8.08 HA :: 4.56 HB2 :: 2.25 HB3 :: 2.25 HG2 :: 2.20 HG3 :: 2.33 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 120.67(3.48) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.0 CA :: 61.1 CB :: 71.0 CG2 :: 21.5 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.19 HA :: 4.86 HB :: 3.83 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.2 Ave N Shift Values>> N :: 115.42(4.75) 1.M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.35 A 0.15 HN Overlap>> 1.E81 1.E81 C Shift Assignments>> C :: 176.0 CA :: 55.4 CB :: 35.0 CG :: 32.0 CE :: 17.0 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.50 HA :: 4.39 HB2 :: 1.38 HB3 :: 1.62 HG2 :: 2.06 HG3 :: 2.21 HE1 :: 1.60 HE2 :: 1.60 HE3 :: 1.60 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.9 Ave N Shift Values>> N :: 120.09(3.57) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.91 HA2 :: 3.57 HA3 :: 3.84 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.3 Ave N Shift Values>> N :: 109.67(3.87) 1.H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.38 H 0.31 C 0.29 C Shift Assignments>> C :: 174.2 CA :: 56.2 CB :: 29.5 CD2 :: 119.8 CE1 :: 135.0 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.46 HB2 :: 3.16 HB3 :: 3.25 HD2 :: 7.02 HE1 :: 7.45 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.32 K 0.12 G 0.04 C Shift Assignments>> C :: 174.7 CA :: 54.6 CB :: 31.7 CG :: 26.7 CD :: 43.0 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.65 HA :: 4.48 HB2 :: 1.74 HB3 :: 1.91 HG2 :: 1.43 HG3 :: 1.48 HD2 :: 3.08 HD3 :: 3.08 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 174.8 CA :: 57.8 CB :: 39.0 CD1 :: 133.4 CD2 :: 133.4 CE1 :: 118.1 CE2 :: 118.1 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.07 HA :: 4.57 HB2 :: 2.72 HB3 :: 2.82 HD1 :: 7.06 HD2 :: 7.06 HE1 :: 6.79 HE2 :: 6.79 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 120.52(4.2) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.4 CA :: 61.1 CB :: 33.3 CG1 :: 21.7 CG2 :: 21.4 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.41 HA :: 4.52 HB :: 1.86 HG11 :: 0.50 HG12 :: 0.50 HG13 :: 0.50 HG21 :: 0.45 HG22 :: 0.45 HG23 :: 0.45 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 :: 123.1 Ave N Shift Values>> N :: 121.14(4.54) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 M 0.09 E 0.04 HN Overlap>> 1.M75 1.F8 1.M75 1.F8 C Shift Assignments>> C :: 175.1 CA :: 54.4 CB :: 34.2 CG :: 37.5 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 :: 8.55 HA :: 4.93 HB2 :: 1.82 HB3 :: 1.94 HG2 :: 2.14 HG3 :: 2.19 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 :: 123.9 Ave N Shift Values>> N :: 120.67(3.48) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 173.8 CA :: 61.1 CB :: 34.9 CG1 :: 21.6 CG2 :: 20.9 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.83 HA :: 4.84 HB :: 1.80 HG11 :: 0.94 HG12 :: 0.94 HG13 :: 0.94 HG21 :: 1.08 HG22 :: 1.08 HG23 :: 1.08 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 121.14(4.54) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.17 G 0.03 HN Overlap>> 1.R13 1.R13 C Shift Assignments>> C :: 175.6 CA :: 55.2 CB :: 42.5 CD1 :: 132.2 CD2 :: 132.2 CE1 :: 131.1 CE2 :: 131.1 CZ :: 130.0 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 :: 9.24 HA :: 4.89 HB2 :: 2.77 HB3 :: 3.26 HD1 :: 7.16 HD2 :: 7.16 HE1 :: 7.20 HE2 :: 7.20 HZ :: 7.25 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 120.45(4.18) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.32 R 0.24 C Shift Assignments>> C :: 176.0 CA :: 58.9 CB :: 32.9 CG :: 26.2 CD :: 29.7 CE :: 42.2 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 :: 9.24 HA :: 4.16 HB2 :: 1.87 HB3 :: 2.02 HG2 :: 1.64 HG3 :: 1.76 HD2 :: 1.82 HD3 :: 1.86 HE2 :: 3.16 HE3 :: 3.16 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1 CA :: 55.3 CB :: 64.5 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.42 HA :: 4.72 HB2 :: 3.34 HB3 :: 3.86 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 116.28(3.52) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.29 C 0.09 C Shift Assignments>> C :: 174.0 CA :: 53.1 CB :: 39.4 CG :: 177.3 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 :: 9.71 HA :: 4.55 HB2 :: 3.12 HB3 :: 3.39 HD21 :: 7.56 HD22 :: 6.86 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.3 ND2 :: 114.6 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 N 0.3 D 0.05 C Shift Assignments>> C :: 176.7 CA :: 56.7 CB :: 38.4 CG :: 175.3 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.81 HA :: 4.24 HB2 :: 2.66 HB3 :: 2.66 HD21 :: 7.22 HD22 :: 6.66 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.5 ND2 :: 109.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.8 CA :: 66.2 CB :: 31.6 CG1 :: 21.0 CG2 :: 22.5 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.94 HA :: 3.73 HB :: 2.03 HG11 :: 0.91 HG12 :: 0.91 HG13 :: 0.91 HG21 :: 1.00 HG22 :: 1.00 HG23 :: 1.00 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 121.14(4.54) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.3 I 0.25 K 0.03 C Shift Assignments>> C :: 177.3 CA :: 59.4 CB :: 29.3 CG :: 37.0 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 :: 4.06 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 2.32 HG3 :: 2.42 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 :: 122.1 Ave N Shift Values>> N :: 120.67(3.48) 1.M90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 M 0.42 I 0.01 C Shift Assignments>> C :: 176.6 CA :: 58.8 CB :: 33.6 CG :: 31.2 CE :: 16.8 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.62 HA :: 2.57(S) HB2 :: 1.21 HB3 :: 1.86 HG2 :: 1.35 HG3 :: 1.86 HE1 :: 1.91 HE2 :: 1.91 HE3 :: 1.91 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.3 Ave N Shift Values>> N :: 120.09(3.57) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.19 L 0.16 Y 0.15 D 0.09 C 0.08 R 0.04 I 0.02 C Shift Assignments>> C :: 178.1 CA :: 57.5 CB :: 41.5 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 :: 8.06 HA :: 4.23 HB2 :: 2.59 HB3 :: 2.75 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 :: 116.3 Ave N Shift Values>> N :: 120.65(3.86) 1.W92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.38 C Shift Assignments>> C :: 180.5 CA :: 62.2 CB :: 29.3 CD1 :: 126.9 CE3 :: 120.6 CZ2 :: 114.4 CZ3 :: 122.1 CH2 :: 124.6 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.12 HA :: 4.20 HB2 :: 3.45 HB3 :: 3.45 HD1 :: 7.15 HE1 :: 9.97 HE3 :: 7.51 HZ2 :: 7.11 HZ3 :: 7.09 HH2 :: 7.07 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 :: 118.3 NE1 :: 129.5 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 180.1 CA :: 67.4 CB :: 31.8 CG1 :: 22.2 CG2 :: 24.2 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 :: 9.10 HA :: 3.70 HB :: 2.33 HG11 :: 1.17 HG12 :: 1.17 HG13 :: 1.17 HG21 :: 1.50 HG22 :: 1.50 HG23 :: 1.50 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.14(4.54) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.44 R 0.02 HN Overlap>> 1.Q25 1.Q25 C Shift Assignments>> C :: 179.2 CA :: 58.1 CB :: 41.0 CG :: 27.0 CD1 :: 26.6 CD2 :: 22.7 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 :: 8.52 HA :: 4.07 HB2 :: 1.46 HB3 :: 1.93 HG :: 1.91 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.97 HD22 :: 0.97 HD23 :: 0.97 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 121.86(3.9) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.39 R 0.19 C Shift Assignments>> C :: 176.8 CA :: 57.5 CB :: 33.0 CG :: 25.9 CD :: 28.9 CE :: 42.2 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.57 HA :: 4.11 HB2 :: 1.46 HB3 :: 1.64 HG2 :: 1.19 HG3 :: 1.37 HD2 :: 1.50 HD3 :: 1.50 HE2 :: 2.88 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 :: 115.7 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 C 0.12 W 0.12 H 0.11 E 0.11 R 0.1 L 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 173.5 CA :: 56.9 CB :: 28.4 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.58 HA :: 4.53 HB2 :: 2.18 HB3 :: 3.28 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.0 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.31 C Shift Assignments>> C :: 174.4 CA :: 60.7 CB :: 72.0 CG2 :: 22.4 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 :: 7.33 HA :: 4.77 HB :: 4.52 HG21 :: 1.32 HG22 :: 1.32 HG23 :: 1.32 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.4 Ave N Shift Values>> N :: 115.42(4.75) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.13 HA2 :: 3.77 HA3 :: 4.31 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9 Ave N Shift Values>> N :: 109.67(3.87) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.7 CA :: 63.8 CB :: 32.2 CG :: 27.0 CD :: 49.9 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 :: 4.51 HB2 :: 1.91 HB3 :: 2.20 HG2 :: 1.89 HG3 :: 1.94 HD2 :: 3.53 HD3 :: 3.72 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.23 C 0.1 C Shift Assignments>> C :: 174.6 CA :: 53.0 CB :: 38.9 CG :: 177.3 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.36 HA :: 4.69 HB2 :: 2.62 HB3 :: 2.84 HD21 :: 7.54 HD22 :: 6.92 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.8 ND2 :: 113.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.7 CB :: 63.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.75 HA :: 4.59 HB2 :: 3.76 HB3 :: 3.76 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 116.28(3.52) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.6 CA :: 63.3 CB :: 32.1 CG :: 27.3 CD :: 50.7 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 :: 4.45 HB2 :: 1.96 HB3 :: 2.29 HG2 :: 1.98 HG3 :: 1.98 HD2 :: 3.68 HD3 :: 3.78 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 F 0.1 N 0.1 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.6 CA :: 54.5 CB :: 41.1 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 :: 8.43 HA :: 4.62 HB2 :: 2.61 HB3 :: 2.74 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 :: 120.5 Ave N Shift Values>> N :: 120.65(3.86) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.5 CA :: 61.8 CB :: 69.8 CG2 :: 21.7 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.03 HA :: 4.33 HB :: 4.29 HG21 :: 1.21 HG22 :: 1.21 HG23 :: 1.21 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.0 Ave N Shift Values>> N :: 115.42(4.75) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 177.5 CA :: 52.8 CB :: 19.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.31 HA :: 4.33 HB1 :: 1.41 HB2 :: 1.41 HB3 :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.0 Ave N Shift Values>> N :: 123.23(3.54) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.25 C 0.1 C Shift Assignments>> C :: 174.8 CA :: 53.2 CB :: 39.1 CG :: 177.2 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.35 HA :: 4.76 HB2 :: 2.72 HB3 :: 2.86 HD21 :: 7.65 HD22 :: 6.90 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 :: 117.9 ND2 :: 113.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.12 N 0.09 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.6 CA :: 54.3 CB :: 41.3 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 :: 8.29 HA :: 4.66 HB2 :: 2.65 HB3 :: 2.71 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 :: 121.1 Ave N Shift Values>> N :: 120.65(3.86) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.94 HA2 :: 3.75 HA3 :: 3.75 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 106 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 0 C Shift Results: #Consistent: 466 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 721 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E53 HA = 5.64(S), Expected = 4.25, Std = 0.4100, ChiSquare = 6.9830e-04 1.M90 HA = 2.57(S), Expected = 4.41, Std = 0.4800, ChiSquare = 1.2642e-04