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.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.37 CA :: 58.38 CB :: 63.67 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.54 HB2 :: 3.89 HB3 :: 3.89 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) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.61 CA :: 58.38 CB :: 63.69 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.53 HA :: 4.48 HB2 :: 3.90 HB3 :: 3.84 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 :: 117.76 Ave N Shift Values>> N :: 116.28(3.52) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.14 C 0.11 Y 0.1 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 175.84 CA :: 53.88 CB :: 38.52 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 :: 8.60 HA :: 4.71 HB2 :: 2.84 HB3 :: 2.84 HD21 :: 7.67 HD22 :: 6.96 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 :: 120.91 ND2 :: 113.35 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.70 CA :: 59.31 CB :: 63.41 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.36 HA :: 4.42 HB2 :: 3.96 HB3 :: 3.89 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.92 Ave N Shift Values>> N :: 116.28(3.52) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.35 K 0.07 M 0.05 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.39 CA :: 56.51 CB :: 29.85 CG :: 36.56 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 :: 4.53 HB2 :: 2.21 HB3 :: 2.02 HG2 :: 2.36 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 :: 121.67 Ave N Shift Values>> N :: 120.67(3.48) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.12 C Shift Assignments>> C :: 176.06 CA :: 56.14 CB :: 33.20 CG :: 25.09 CD :: 29.01 CE :: 42.15 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 :: 8.12 HA :: 4.37 HB2 :: 1.88 HB3 :: 1.83 HG2 :: 1.46 HG3 :: 1.31 HD2 :: 1.59 HD3 :: 1.59 HE2 :: 2.86 HE3 :: 2.86 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.02 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.37 M 0.19 Q 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 175.05 CA :: 56.39 CB :: 31.34 CG :: 36.47 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 :: 4.83 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.36 HG3 :: 2.25 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 :: 122.45 Ave N Shift Values>> N :: 120.67(3.48) 1.W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.46 C 0.38 H 0.14 C Shift Assignments>> C :: 175.39 CA :: 55.89 CB :: 30.81 CD1 :: 127.74 CZ2 :: 114.01 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 :: 9.68 HA :: 4.86 HB2 :: 3.17 HB3 :: 3.02 HD1 :: 7.82 HE1 :: 10.09 HZ2 :: 7.45 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 :: 122.80 NE1 :: 128.87 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.37 C 0.23 C Shift Assignments>> C :: 174.84 CA :: 54.72 CB :: 29.84 CD2 :: 119.83 CE1 :: 136.13 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.69 HA :: 4.99 HB2 :: 3.25 HB3 :: 3.13 HD2 :: 7.24 HE1 :: 8.57 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 :: 120.40 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.03 CA :: 62.11 CB :: 37.59 CG1 :: 26.68 CG2 :: 17.82 CD1 :: 14.27 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 :: 7.74 HA :: 4.36 HB :: 1.80 HG12 :: 1.57 HG13 :: 0.69 HG21 :: 0.54 HG22 :: 0.54 HG23 :: 0.54 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 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 :: 121.70 Ave N Shift Values>> N :: 121.46(4.28) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.24 A 0.01 C Shift Assignments>> CA :: 58.50 CB :: 34.97 CG1 :: 19.96 CG2 :: 20.71 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 :: 9.37 HA :: 4.69 HB :: 1.88 HG11 :: 0.92 HG12 :: 0.92 HG13 :: 0.92 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 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 :: 130.31 Ave N Shift Values>> N :: 121.14(4.54) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 175.07 CA :: 63.13 CB :: 33.58 CG :: 27.01 CD :: 50.50 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 :: 4.47 HB2 :: 2.16 HB3 :: 1.77 HG2 :: 2.17 HG3 :: 2.17 HD2 :: 3.96 HD3 :: 3.54 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.V14 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 :: 175.36 CA :: 63.60 CB :: 34.05 CG1 :: 20.90 CG2 :: 20.90 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 :: 7.97 HA :: 4.17 HB :: 1.41 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.69 HG22 :: 0.69 HG23 :: 0.69 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.00 Ave N Shift Values>> N :: 121.14(4.54) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.24 CA :: 57.62 CB :: 64.25 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.04 HA :: 4.53 HB2 :: 4.29 HB3 :: 3.98 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 :: 113.90 Ave N Shift Values>> N :: 116.28(3.52) 1.K16 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.1 C Shift Assignments>> C :: 177.79 CA :: 58.10 CB :: 31.84 CG :: 24.07 CD :: 29.10 CE :: 41.78 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 :: 8.69 HA :: 2.83 HB2 :: 1.60 HB3 :: 1.60 HG2 :: 1.26 HG3 :: 1.26 HD2 :: 1.53 HD3 :: 1.53 HE2 :: 2.89 HE3 :: 2.89 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 :: 124.94 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.19 D 0.18 N 0.17 C 0.12 L 0.09 I 0.02 C Shift Assignments>> C :: 176.67 CA :: 55.58 CB :: 39.30 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 :: 8.59 HA :: 4.10 HB2 :: 2.13 HB3 :: 2.09 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 :: 118.14 Ave N Shift Values>> N :: 120.65(3.86) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 174.86 CA :: 58.51 CB :: 39.47 CD1 :: 132.22 CD2 :: 132.22 CE1 :: 117.79 CE2 :: 117.79 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.87 HA :: 4.55 HB2 :: 3.46 HB3 :: 2.49 HD1 :: 6.88 HD2 :: 6.88 HE1 :: 6.65 HE2 :: 6.65 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 :: 115.26 Ave N Shift Values>> N :: 120.52(4.2) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 F 0.32 Y 0.23 C Shift Assignments>> C :: 176.95 CA :: 59.34 CB :: 37.87 CD1 :: 130.23 CD2 :: 130.23 CE1 :: 131.47 CE2 :: 131.47 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 :: 7.43 HA :: 4.36 HB2 :: 3.30 HB3 :: 3.22 HD1 :: 7.15 HD2 :: 7.15 HE1 :: 7.22 HE2 :: 7.22 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.02 Ave N Shift Values>> N :: 120.45(4.18) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.98 CA :: 58.66 CB :: 62.85 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 :: 4.43 HB2 :: 3.80 HB3 :: 3.59 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 :: 111.50 Ave N Shift Values>> N :: 116.28(3.52) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.K85 1.K85 C Shift Assignments>> CA :: 59.78 CB :: 38.33 CG1 :: 26.90 CG2 :: 17.73 CD1 :: 14.00 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 :: 7.66 HA :: 4.11 HB :: 1.95 HG12 :: 1.61 HG13 :: 1.45 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 HD11 :: 0.68 HD12 :: 0.68 HD13 :: 0.68 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 :: 119.38 Ave N Shift Values>> N :: 121.46(4.28) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 176.11 CA :: 62.88 CB :: 32.57 CG :: 28.65 CD :: 50.10 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 :: 4.50 HB2 :: 2.64 HB3 :: 2.10 HG2 :: 2.10 HG3 :: 1.94 HD2 :: 3.57 HD3 :: 3.38 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.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.14 C 0.11 Y 0.09 F 0.08 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 176.58 CA :: 53.61 CB :: 38.49 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 :: 8.63 HA :: 4.80 HB2 :: 3.17 HB3 :: 2.90 HD21 :: 7.62 HD22 :: 6.87 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 :: 117.59 ND2 :: 111.23 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.28 L 0.09 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.09 CA :: 52.50 CB :: 39.84 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 :: 4.76 HB2 :: 3.09 HB3 :: 2.48 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 :: 120.49 Ave N Shift Values>> N :: 120.65(3.86) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.25 R 0.1 G 0.07 C Shift Assignments>> C :: 176.34 CA :: 55.46 CB :: 43.27 CG :: 26.68 CD1 :: 25.93 CD2 :: 24.25 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 :: 8.40 HA :: 4.39 HB2 :: 1.95 HB3 :: 1.24 HG :: 1.64 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 HD21 :: 0.71 HD22 :: 0.71 HD23 :: 0.71 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 :: 119.53 Ave N Shift Values>> N :: 121.86(3.9) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.26 C 0.12 A 0.08 R 0.02 C Shift Assignments>> C :: 174.62 CA :: 52.84 CB :: 44.07 CG :: 26.68 CD1 :: 25.46 CD2 :: 22.85 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 :: 8.84 HA :: 5.14 HB2 :: 1.09 HB3 :: 0.99 HG :: 1.50 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 HD21 :: 0.46 HD22 :: 0.46 HD23 :: 0.46 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.61 Ave N Shift Values>> N :: 121.86(3.9) 1.W27 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.72 W 0.27 C Shift Assignments>> C :: 175.74 CA :: 54.51 CB :: 31.71 CD1 :: 124.96 CE3 :: 120.35 CZ2 :: 112.43 CZ3 :: 119.29 CH2 :: 122.31 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 :: 9.23 HA :: 5.57 HB2 :: 2.94 HB3 :: 2.83 HD1 :: 6.11 HE1 :: 5.53(S) HE3 :: 7.10 HZ2 :: 6.59 HZ3 :: 6.52 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 :: 122.65 NE1 :: 125.09 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HE1 > HA : 1.0000) (HE1 > HD1 : 0.9930) (HE1 > HZ3 : 0.9924) 1.S28 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 :: 173.44 CA :: 56.99 CB :: 66.15 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.24 HA :: 5.49 HB2 :: 4.16 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 :: 121.97 Ave N Shift Values>> N :: 116.28(3.52) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 F 0.33 G 0.06 C Shift Assignments>> C :: 175.81 CA :: 57.18 CB :: 42.37 CD1 :: 133.89 CD2 :: 133.89 CE1 :: 131.00 CE2 :: 131.00 CZ :: 128.34 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 :: 9.59 HA :: 5.15 HB2 :: 3.32 HB3 :: 2.92 HD1 :: 7.35 HD2 :: 7.35 HE1 :: 6.33 HE2 :: 6.33 HZ :: 6.30 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.42 Ave N Shift Values>> N :: 120.45(4.18) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.13 C 0.09 Y 0.04 F 0.04 L 0.03 C Shift Assignments>> C :: 176.54 CA :: 52.32 CB :: 38.52 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 :: 9.40 HA :: 5.22 HB2 :: 3.46 HB3 :: 2.67 HD21 :: 7.66 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 :: 120.66 ND2 :: 112.86 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 176.95 CA :: 63.43 CB :: 68.11 CG2 :: 21.86 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 :: 9.18 HA :: 4.80 HB :: 4.51 HG21 :: 1.33 HG22 :: 1.33 HG23 :: 1.33 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 :: 114.63 Ave N Shift Values>> N :: 115.42(4.75) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.13 CA :: 65.55 CB :: 68.20 CG2 :: 21.59 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 :: 8.45 HA :: 4.13 HB :: 4.32 HG21 :: 1.23 HG22 :: 1.23 HG23 :: 1.23 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 :: 120.02 Ave N Shift Values>> N :: 115.42(4.75) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 C 0.11 D 0.07 Y 0.03 F 0.03 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 174.23 CA :: 51.65 CB :: 37.87 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 :: 7.50 HA :: 4.69 HB2 :: 2.70 HB3 :: 2.70 HD21 :: 7.45 HD22 :: 6.73 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 :: 117.49 ND2 :: 110.10 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.32 K 0.17 L 0.02 G 0.01 C Shift Assignments>> C :: 172.88 CA :: 57.16 CB :: 28.54 CG :: 24.94 CD :: 29.29 CE :: 42.23 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 :: 7.58 HA :: 3.50 HB2 :: 1.69 HB3 :: 1.06 HG2 :: 1.13 HG3 :: 1.13 HD2 :: 1.59 HD3 :: 1.54 HE2 :: 2.98 HE3 :: 2.98 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 :: 118.03 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 S 0.27 C Shift Assignments>> C :: 173.51 CA :: 56.11 CB :: 67.80 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.56 HA :: 5.67 HB2 :: 3.73 HB3 :: 3.46 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 :: 109.72 Ave N Shift Values>> N :: 116.28(3.52) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.46 A 0.02 C Shift Assignments>> C :: 174.66 CA :: 58.18 CB :: 40.66 CG1 :: 26.46 CG2 :: 17.86 CD1 :: 13.53 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 :: 8.75 HA :: 4.94 HB :: 1.14 HG12 :: 1.10 HG13 :: 1.00 HG21 :: 0.00 HG22 :: 0.00 HG23 :: 0.00 HD11 :: 0.44 HD12 :: 0.44 HD13 :: 0.44 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 :: 117.49 Ave N Shift Values>> N :: 121.46(4.28) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.23 N 0.13 K 0.07 C 0.05 R 0.04 F 0.04 Y 0.02 G 0.01 HN Overlap>> 1.N59 1.N59 C Shift Assignments>> C :: 173.49 CA :: 51.67 CB :: 41.90 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 :: 8.40 HA :: 5.65 HB2 :: 2.75 HB3 :: 2.72 HD21 :: 7.36 HD22 :: 6.70 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 :: 122.18 ND2 :: 111.96 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 174.59 CA :: 60.06 CB :: 34.87 CG1 :: 21.08 CG2 :: 22.25 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 :: 8.90 HA :: 5.54 HB :: 1.67 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 HG21 :: 0.63 HG22 :: 0.63 HG23 :: 0.63 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 :: 122.06 Ave N Shift Values>> N :: 121.14(4.54) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 172.81 CA :: 56.22 CB :: 40.62 CD1 :: 133.51 CD2 :: 133.51 CE1 :: 117.97 CE2 :: 117.97 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 :: 8.91 HA :: 5.49 HB2 :: 3.28 HB3 :: 3.12 HD1 :: 6.86 HD2 :: 6.86 HE1 :: 6.70 HE2 :: 6.70 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.53 Ave N Shift Values>> N :: 120.52(4.2) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 174.36 CA :: 56.58 CB :: 66.29 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.97 HA :: 4.78 HB2 :: 4.11 HB3 :: 3.98 HG :: 6.19 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.21 Ave N Shift Values>> N :: 116.28(3.52) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 C Shift Assignments>> C :: 177.73 CA :: 59.24 CB :: 31.66 CG :: 24.36 CD :: 29.25 CE :: 41.98 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 :: 9.02 HA :: 4.21 HB2 :: 1.95 HB3 :: 1.87 HG2 :: 1.44 HG3 :: 1.40 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.98 HE3 :: 2.98 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 :: 118.79 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.24 L 0.07 C 0.07 F 0.06 Y 0.05 C Shift Assignments>> C :: 173.26 CA :: 52.78 CB :: 39.47 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.09 HA :: 4.75 HB2 :: 2.46 HB3 :: 1.93 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 :: 113.65 Ave N Shift Values>> N :: 120.17(4.64) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.13 G 0.03 C Shift Assignments>> C :: 171.87 CA :: 59.80 CB :: 42.55 CG1 :: 29.57 CG2 :: 15.77 CD1 :: 15.30 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 :: 5.21 HB :: 1.88 HG12 :: 1.61 HG13 :: 1.03 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 HD11 :: 1.06 HD12 :: 1.06 HD13 :: 1.06 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 :: 118.58 Ave N Shift Values>> N :: 121.46(4.28) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.79 CA :: 56.98 CB :: 64.91 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.19 HA :: 5.19 HB2 :: 3.94 HB3 :: 3.88 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 :: 117.64 Ave N Shift Values>> N :: 116.28(3.52) 1.G45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 171.30 CA :: 45.23 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.72 HA2 :: 5.28(S) HA3 :: 3.46 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.16 Ave N Shift Values>> N :: 109.67(3.87) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.38 R 0.07 HN Overlap>> 1.L80 1.L80 C Shift Assignments>> C :: 174.51 CA :: 54.93 CB :: 36.42 CG :: 24.51 CD :: 29.33 CE :: 41.79 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 :: 8.34 HA :: 5.53 HB2 :: 1.73 HB3 :: 1.73 HG2 :: 1.37 HG3 :: 1.32 HD2 :: 1.57 HD3 :: 1.57 HE2 :: 2.84 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 :: 123.52 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.93 C 0.03 L 0.02 C Shift Assignments>> C :: 175.85 CA :: 49.86 CB :: 20.75 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.44 HA :: 4.40 HB1 :: -0.46(S) HB2 :: -0.46(S) HB3 :: -0.46(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.71 Ave N Shift Values>> N :: 123.23(3.54) 1.V48 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 :: 176.66 CA :: 61.16 CB :: 32.18 CG1 :: 20.79 CG2 :: 20.79 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 :: 7.84 HA :: 4.64 HB :: 1.77 HG11 :: 0.82 HG12 :: 0.82 HG13 :: 0.82 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 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 :: 120.66 Ave N Shift Values>> N :: 121.14(4.54) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.24 G 0.01 C Shift Assignments>> C :: 173.48 CA :: 54.94 CB :: 42.03 CD1 :: 133.56 CD2 :: 133.56 CE1 :: 117.52 CE2 :: 117.52 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 :: 8.34 HA :: 5.23 HB2 :: 2.43 HB3 :: 1.99 HD1 :: 6.56 HD2 :: 6.56 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 :: 126.51 Ave N Shift Values>> N :: 120.52(4.2) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.18 CA :: 56.89 CB :: 65.65 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.36 HA :: 4.56 HB2 :: 3.78 HB3 :: 3.78 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 :: 111.30 Ave N Shift Values>> N :: 116.28(3.52) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.18 G 0.01 C Shift Assignments>> C :: 176.80 CA :: 56.09 CB :: 42.28 CD1 :: 131.88 CD2 :: 131.88 CE1 :: 130.38 CE2 :: 130.38 CZ :: 129.36 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 :: 8.66 HA :: 5.86 HB2 :: 2.95 HB3 :: 2.95 HD1 :: 7.07 HD2 :: 7.07 HE1 :: 7.24 HE2 :: 7.24 HZ :: 6.79 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 :: 116.71 Ave N Shift Values>> N :: 120.45(4.18) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.13 K 0.09 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 174.87 CA :: 53.30 CB :: 41.35 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 :: 9.19 HA :: 4.90 HB2 :: 2.75 HB3 :: 2.71 HD21 :: 7.51 HD22 :: 6.99 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.62 ND2 :: 113.38 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 C 0.01 C Shift Assignments>> C :: 176.80 CA :: 52.86 CB :: 16.76 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.65 HA :: 4.11 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.21 Ave N Shift Values>> N :: 123.23(3.54) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.95 CA :: 45.32 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.85 HA2 :: 4.32 HA3 :: 4.22 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.57 Ave N Shift Values>> N :: 109.67(3.87) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.32 R 0.09 G 0.01 C Shift Assignments>> C :: 174.12 CA :: 54.35 CB :: 34.01 CG :: 24.98 CD :: 28.94 CE :: 42.09 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 :: 8.03 HA :: 4.91 HB2 :: 2.05 HB3 :: 1.61 HG2 :: 1.31 HG3 :: 1.31 HD2 :: 1.57 HD3 :: 1.57 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 :: 120.23 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 173.87 CA :: 56.63 CB :: 40.94 CD1 :: 131.76 CD2 :: 131.76 CE1 :: 129.33 CE2 :: 129.33 CZ :: 128.00 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 :: 9.39 HA :: 4.25 HB2 :: 2.67 HB3 :: 2.67 HD1 :: 6.34 HD2 :: 6.34 HE1 :: 6.57 HE2 :: 6.57 HZ :: 6.77 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 :: 125.15 Ave N Shift Values>> N :: 120.45(4.18) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 M 0.32 C 0.27 C Shift Assignments>> C :: 174.09 CA :: 53.60 CB :: 36.19 CG :: 31.17 CE :: 16.98 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 :: 8.27 HA :: 5.14 HB2 :: 1.82 HB3 :: 1.82 HG2 :: 2.28 HG3 :: 2.23 HE1 :: 1.98 HE2 :: 1.98 HE3 :: 1.98 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 :: 124.27 Ave N Shift Values>> N :: 120.09(3.57) 1.G58 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 :: 169.90 CA :: 45.62 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.42 HA2 :: 3.90 HA3 :: 2.79 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.44 Ave N Shift Values>> N :: 109.67(3.87) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.1 D 0.08 Y 0.02 F 0.02 L 0.01 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 174.65 CA :: 51.11 CB :: 38.14 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 :: 8.41 HA :: 4.89 HB2 :: 2.84 HB3 :: 2.61 HD21 :: 7.45 HD22 :: 6.83 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 :: 122.27 ND2 :: 110.91 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 HN Overlap>> 1.D71 1.D71 C Shift Assignments>> C :: 175.62 CA :: 58.85 CB :: 39.91 CD1 :: 131.84 CD2 :: 131.84 CE1 :: 130.70 CE2 :: 130.70 CZ :: 128.71 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 :: 8.87 HA :: 4.12 HB2 :: 2.59 HB3 :: 1.84 HD1 :: 6.94 HD2 :: 6.94 HE1 :: 6.77 HE2 :: 6.77 HZ :: 6.36 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 :: 123.42 Ave N Shift Values>> N :: 120.45(4.18) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.29 L 0.09 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.09 CA :: 52.69 CB :: 39.83 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 :: 8.61 HA :: 4.90 HB2 :: 2.75 HB3 :: 2.75 HD21 :: 7.59 HD22 :: 6.89 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.52 ND2 :: 112.88 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.65 CA :: 60.87 CB :: 34.69 CG1 :: 21.57 CG2 :: 20.03 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 :: 8.89 HA :: 4.82 HB :: 1.78 HG11 :: 0.55 HG12 :: 0.55 HG13 :: 0.55 HG21 :: 0.38 HG22 :: 0.38 HG23 :: 0.38 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 :: 123.75 Ave N Shift Values>> N :: 121.14(4.54) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.36 R 0.06 C Shift Assignments>> C :: 174.99 CA :: 55.01 CB :: 34.03 CG :: 24.45 CD :: 28.81 CE :: 41.96 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 :: 8.75 HA :: 4.67 HB2 :: 1.80 HB3 :: 1.69 HG2 :: 1.38 HG3 :: 1.34 HD2 :: 1.70 HD3 :: 1.70 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 :: 126.21 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.35 E 0.18 Q 0.02 C Shift Assignments>> C :: 175.68 CA :: 54.40 CB :: 32.69 CG :: 36.10 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 :: 9.17 HA :: 5.02 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 2.23 HG3 :: 2.16 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.50 Ave N Shift Values>> N :: 120.67(3.48) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.94 CA :: 62.29 CB :: 32.08 CG1 :: 21.27 CG2 :: 20.61 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 :: 8.33 HA :: 3.88 HB :: 1.84 HG11 :: 0.94 HG12 :: 0.94 HG13 :: 0.94 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 :: 126.87 Ave N Shift Values>> N :: 121.14(4.54) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.19 F 0.17 Y 0.14 K 0.09 C 0.08 N 0.05 I 0.01 C Shift Assignments>> C :: 177.33 CA :: 55.95 CB :: 40.76 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 :: 8.81 HA :: 4.44 HB2 :: 2.60 HB3 :: 2.60 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 :: 130.72 Ave N Shift Values>> N :: 120.65(3.86) 1.G67 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 :: 173.53 CA :: 45.83 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.91 HA2 :: 4.02 HA3 :: 3.82 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.76 Ave N Shift Values>> N :: 109.67(3.87) 1.C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.23 C 0.2 I 0.14 E 0.05 D 0.01 L 0.01 N 0.01 M 0.01 C Shift Assignments>> C :: 175.64 CA :: 58.28 CB :: 38.24 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.54 HA :: 4.26 HB2 :: 2.67 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 :: 119.70 Ave N Shift Values>> N :: 120.17(4.64) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 C Shift Assignments>> C :: 177.33 CA :: 56.46 CB :: 40.02 CD1 :: 131.23 CD2 :: 131.23 CE1 :: 128.80 CE2 :: 128.80 CZ :: 129.30 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 :: 8.85 HA :: 5.01 HB2 :: 3.33 HB3 :: 2.86 HD1 :: 7.36 HD2 :: 7.26 HE1 :: 6.94 HE2 :: 6.94 HZ :: 6.58 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 :: 117.79 Ave N Shift Values>> N :: 120.45(4.18) 1.M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.26 A 0.26 C Shift Assignments>> C :: 177.65 CA :: 54.57 CB :: 33.99 CG :: 32.37 CE :: 17.40 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 :: 8.71 HA :: 4.70 HB2 :: 2.37 HB3 :: 1.96 HG2 :: 2.78 HG3 :: 2.67 HE1 :: 2.16 HE2 :: 2.16 HE3 :: 2.16 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.89 Ave N Shift Values>> N :: 120.09(3.57) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.11 L 0.06 D 0.05 K 0.02 HN Overlap>> 1.F60 1.F60 C Shift Assignments>> C :: 177.92 CA :: 58.38 CB :: 40.10 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 :: 8.98 HA :: 4.28 HB2 :: 2.67 HB3 :: 2.67 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.44 Ave N Shift Values>> N :: 120.65(3.86) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 I 0.03 C 0.02 C Shift Assignments>> C :: 180.74 CA :: 55.02 CB :: 18.28 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.95 HA :: 4.03 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.20 Ave N Shift Values>> N :: 123.23(3.54) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.27 R 0.05 E 0.05 M 0.04 C Shift Assignments>> C :: 176.88 CA :: 57.72 CB :: 28.94 CG :: 33.60 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 :: 7.12 HA :: 4.02 HB2 :: 2.56 HB3 :: 1.54 HG2 :: 2.80 HG3 :: 2.53 HE21 :: 7.95 HE22 :: 7.24 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 :: 115.38 NE2 :: 113.54 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.37 R 0.2 C Shift Assignments>> C :: 177.61 CA :: 58.50 CB :: 31.79 CG :: 24.95 CD :: 27.98 CE :: 41.86 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 :: 7.76 HA :: 3.51 HB2 :: 2.05 HB3 :: 1.73 HG2 :: 1.51 HG3 :: 1.38 HD2 :: 1.81 HD3 :: 1.70 HE2 :: 3.05 HE3 :: 3.01 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.56 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 HN Overlap>> 1.I95 1.I95 C Shift Assignments>> C :: 178.53 CA :: 64.20 CB :: 38.17 CG1 :: 28.91 CG2 :: 16.76 CD1 :: 12.76 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 :: 7.76 HA :: 3.75 HB :: 1.67 HG12 :: 1.65 HG13 :: 1.13 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 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 :: 117.49 Ave N Shift Values>> N :: 121.46(4.28) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.44 C 0.03 I 0.02 C Shift Assignments>> C :: 178.65 CA :: 55.02 CB :: 18.57 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.09 HA :: 3.99 HB1 :: 1.34 HB2 :: 1.34 HB3 :: 1.34 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.19 Ave N Shift Values>> N :: 123.23(3.54) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 176.67 CA :: 63.13 CB :: 36.68 CG1 :: 28.26 CG2 :: 17.63 CD1 :: 12.69 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 :: 8.15 HA :: 3.42 HB :: 1.67 HG12 :: 1.09 HG13 :: 0.83 HG21 :: 0.75 HG22 :: 0.75 HG23 :: 0.75 HD11 :: 0.34 HD12 :: 0.34 HD13 :: 0.34 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 :: 119.24 Ave N Shift Values>> N :: 121.46(4.28) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.15 I 0.08 D 0.08 L 0.06 N 0.03 C Shift Assignments>> C :: 180.35 CA :: 57.44 CB :: 39.43 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 :: 4.44 HB2 :: 2.78 HB3 :: 2.62 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 :: 121.08 Ave N Shift Values>> N :: 120.65(3.86) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.44 R 0.04 C Shift Assignments>> C :: 178.58 CA :: 59.78 CB :: 31.80 CG :: 25.18 CD :: 29.28 CE :: 41.50 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 :: 7.96 HA :: 4.01 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 1.56 HG3 :: 1.49 HD2 :: 1.37 HD3 :: 1.37 HE2 :: 2.69 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 :: 121.34 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 HN Overlap>> 1.K46 1.K46 C Shift Assignments>> C :: 178.23 CA :: 58.57 CB :: 41.11 CG :: 27.14 CD1 :: 24.90 CD2 :: 24.34 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 :: 8.23 HA :: 3.99 HB2 :: 1.96 HB3 :: 1.34 HG :: 0.87 HD11 :: 0.44 HD12 :: 0.44 HD13 :: 0.44 HD21 :: 0.19 HD22 :: 0.19 HD23 :: 0.19 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.53 Ave N Shift Values>> N :: 121.86(3.9) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 F 0.33 C Shift Assignments>> C :: 179.57 CA :: 61.07 CB :: 37.01 CD1 :: 131.28 CD2 :: 131.28 CE1 :: 129.95 CE2 :: 129.95 CZ :: 126.48 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 :: 8.05 HA :: 4.35 HB2 :: 3.32 HB3 :: 2.97 HD1 :: 6.84 HD2 :: 6.84 HE1 :: 6.33 HE2 :: 6.33 HZ :: 6.46 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 :: 116.72 Ave N Shift Values>> N :: 120.45(4.18) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.20 CA :: 61.83 CB :: 62.57 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.41 HA :: 4.36 HB2 :: 4.05 HB3 :: 4.01 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.12 Ave N Shift Values>> N :: 116.28(3.52) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.26 I 0.05 C Shift Assignments>> C :: 178.26 CA :: 59.17 CB :: 31.24 CE :: 15.87 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 :: 8.42 HA :: 4.21 HB2 :: 2.48 HB3 :: 2.14 HE1 :: 1.65 HE2 :: 1.65 HE3 :: 1.65 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 :: 123.04 Ave N Shift Values>> N :: 120.09(3.57) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.38 R 0.07 A 0.01 C Shift Assignments>> C :: 178.03 CA :: 57.39 CB :: 41.43 CG :: 27.14 CD1 :: 22.76 CD2 :: 26.49 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 :: 8.08 HA :: 4.14 HB2 :: 2.20 HB3 :: 1.78 HG :: 2.00 HD11 :: 1.00 HD12 :: 1.00 HD13 :: 1.00 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.91 Ave N Shift Values>> N :: 121.86(3.9) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 HN Overlap>> 1.I21 1.I21 C Shift Assignments>> C :: 177.65 CA :: 58.75 CB :: 32.24 CG :: 24.63 CD :: 29.67 CE :: 41.97 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 :: 7.64 HA :: 4.11 HB2 :: 2.17 HB3 :: 2.09 HG2 :: 1.48 HG3 :: 1.48 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 2.99 HE3 :: 2.99 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.34 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.18 R 0.17 D 0.14 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 176.95 CA :: 55.77 CB :: 42.42 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 :: 7.35 HA :: 4.57 HB2 :: 2.81 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 :: 117.21 Ave N Shift Values>> N :: 120.65(3.86) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.00 CA :: 44.49 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.76 HA2 :: 4.38 HA3 :: 4.38 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.74 Ave N Shift Values>> N :: 109.67(3.87) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 V 0.02 I 0.02 A 0.02 C Shift Assignments>> C :: 173.10 CA :: 58.65 CB :: 35.91 CG1 :: 18.47 CG2 :: 23.04 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 :: 9.35 HA :: 4.96 HB :: 2.37 HG11 :: 0.94 HG12 :: 0.94 HG13 :: 0.94 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.05 Ave N Shift Values>> N :: 121.14(4.54) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.64 CA :: 61.36 CB :: 33.76 CG1 :: 22.20 CG2 :: 21.36 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 :: 9.00 HA :: 4.55 HB :: 1.86 HG11 :: 0.99 HG12 :: 0.99 HG13 :: 0.99 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 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 :: 121.03 Ave N Shift Values>> N :: 121.14(4.54) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.36 C 0.11 A 0.1 C Shift Assignments>> C :: 176.15 CA :: 52.23 CB :: 44.28 CG :: 26.40 CD1 :: 22.76 CD2 :: 24.44 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 :: 8.95 HA :: 5.16 HB2 :: 2.06 HB3 :: 0.75 HG :: 1.40 HD11 :: 0.24 HD12 :: 0.24 HD13 :: 0.24 HD21 :: -0.06 HD22 :: -0.06 HD23 :: -0.06 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.42 Ave N Shift Values>> N :: 121.86(3.9) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.32 K 0.2 G 0.01 C Shift Assignments>> C :: 175.30 CA :: 53.81 CB :: 36.84 CG :: 25.74 CD :: 29.47 CE :: 41.97 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 :: 4.90 HB2 :: 1.42 HB3 :: 1.42 HG2 :: 1.15 HG3 :: 1.07 HD2 :: 1.41 HD3 :: 1.36 HE2 :: 2.71 HE3 :: 2.51 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 :: 119.72 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.28 G 0.24 F 0.04 C 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 43.98 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.03 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 :: 109.73 Ave N Shift Values>> N :: 109.67(3.87) 1.N93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.76 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) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.I75 1.I75 C Shift Assignments>> CA :: 61.27 CB :: 37.59 CG1 :: 27.52 CG2 :: 17.54 CD1 :: 12.88 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 :: 7.70 HA :: 4.16 HB :: 1.98 HG12 :: 1.41 HG13 :: 1.21 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 HD11 :: 0.84 HD12 :: 0.84 HD13 :: 0.84 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 :: 117.40 Ave N Shift Values>> N :: 121.46(4.28) 1.N96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.59 C 0.4 C Shift Assignments>> CA :: 61.74 CB :: 73.45 CG2 :: 21.18 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>> HA :: 5.81 HB :: 3.88 HG21 :: 1.11 HG22 :: 1.11 HG23 :: 1.11 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) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 174.43 CA :: 59.98 CB :: 40.97 CG1 :: 28.26 CG2 :: 17.45 CD1 :: 12.78 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>> HA :: 4.63 HB :: 1.04 HG12 :: 1.37 HG13 :: 0.29 HG21 :: 0.28 HG22 :: 0.28 HG23 :: 0.28 HD11 :: -0.20 HD12 :: -0.20 HD13 :: -0.20 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) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.2 A 0.04 R 0.03 G 0.02 C Shift Assignments>> C :: 174.93 CA :: 54.03 CB :: 42.52 CG :: 26.95 CD1 :: 25.09 CD2 :: 23.23 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 :: 9.53 HA :: 4.42 HB2 :: 1.73 HB3 :: 1.35 HG :: 1.63 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 HD21 :: 0.77 HD22 :: 0.77 HD23 :: 0.77 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 :: 127.30 Ave N Shift Values>> N :: 121.86(3.9) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 173.88 CA :: 60.90 CB :: 37.41 CG1 :: 26.58 CG2 :: 16.70 CD1 :: 12.32 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 :: 8.26 HA :: 4.32 HB :: 1.49 HG12 :: 1.07 HG13 :: 0.43 HG21 :: 0.60 HG22 :: 0.60 HG23 :: 0.60 HD11 :: 0.09 HD12 :: 0.09 HD13 :: 0.09 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 :: 119.99 Ave N Shift Values>> N :: 121.46(4.28) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.22 E 0.1 C Shift Assignments>> C :: 174.24 CA :: 54.05 CB :: 33.63 CG :: 36.74 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 :: 9.58 HA :: 5.12 HB2 :: 1.80 HB3 :: 1.80 HG2 :: 1.78 HG3 :: 1.78 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 :: 129.78 Ave N Shift Values>> N :: 120.67(3.48) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.25 R 0.19 G 0.01 C Shift Assignments>> C :: 175.28 CA :: 55.19 CB :: 36.75 CG :: 24.80 CD :: 29.66 CE :: 42.26 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 :: 8.68 HA :: 4.72 HB2 :: 1.83 HB3 :: 1.73 HG2 :: 1.48 HG3 :: 1.41 HE2 :: 3.08 HE3 :: 3.08 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 :: 123.42 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.19 D 0.19 Y 0.18 F 0.18 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 176.09 CA :: 55.37 CB :: 39.26 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 :: 9.53 HA :: 4.29 HB2 :: 2.92 HB3 :: 2.78 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 :: 127.44 Ave N Shift Values>> N :: 120.65(3.86) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.13 CA :: 45.23 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.97 HA2 :: 4.09 HA3 :: 3.55 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.82 Ave N Shift Values>> N :: 109.67(3.87) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.38 E 0.14 Q 0.02 C Shift Assignments>> C :: 174.94 CA :: 53.77 CB :: 32.82 CG :: 35.95 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 :: 7.72 HA :: 4.72 HB2 :: 1.98 HB3 :: 1.88 HG2 :: 2.19 HG3 :: 2.11 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 :: 120.20 Ave N Shift Values>> N :: 120.67(3.48) 1.V107 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 :: 175.34 CA :: 64.23 CB :: 31.16 CG1 :: 22.67 CG2 :: 22.29 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 :: 8.90 HA :: 3.76 HB :: 1.99 HG11 :: 1.00 HG12 :: 1.00 HG13 :: 1.00 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 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 :: 125.99 Ave N Shift Values>> N :: 121.14(4.54) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.38 R 0.08 G 0.02 C Shift Assignments>> C :: 174.39 CA :: 54.74 CB :: 34.69 CG :: 24.50 CD :: 28.52 CE :: 42.53 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 :: 9.25 HA :: 4.81 HB2 :: 1.73 HB3 :: 1.67 HG2 :: 1.81 HG3 :: 1.81 HD2 :: 1.72 HD3 :: 1.66 HE2 :: 3.21 HE3 :: 3.21 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.06 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 G 0.22 L 0.07 A 0.01 C Shift Assignments>> C :: 172.45 CA :: 53.25 CB :: 47.80 CG :: 26.49 CD1 :: 25.18 CD2 :: 27.14 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 :: 7.69 HA :: 4.82 HB2 :: 1.33 HB3 :: 1.09 HG :: 1.17 HD11 :: 0.42 HD12 :: 0.42 HD13 :: 0.42 HD21 :: 0.11 HD22 :: 0.11 HD23 :: 0.11 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 :: 116.67 Ave N Shift Values>> N :: 121.86(3.9) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.29 R 0.09 A 0.01 G 0.01 C Shift Assignments>> C :: 172.76 CA :: 54.09 CB :: 36.56 CG :: 24.55 CD :: 30.01 CE :: 41.82 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 :: 9.17 HA :: 5.05 HB2 :: 1.48 HB3 :: 1.48 HG2 :: 1.14 HG3 :: 1.14 HD2 :: 1.42 HD3 :: 1.42 HE2 :: 2.65 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 :: 117.05 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.39 A 0.37 C 0.14 G 0.08 C Shift Assignments>> C :: 176.47 CA :: 52.23 CB :: 42.81 CG :: 25.65 CD1 :: 23.04 CD2 :: 21.92 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 :: 9.40 HA :: 5.25 HB2 :: 1.47 HB3 :: 0.98 HG :: 0.77 HD11 :: -0.18(S) HD12 :: -0.18(S) HD13 :: -0.18(S) HD21 :: -1.00(S) HD22 :: -1.00(S) HD23 :: -1.00(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.80 Ave N Shift Values>> N :: 121.86(3.9) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 175.71 CA :: 59.17 CB :: 41.01 CG1 :: 26.68 CG2 :: 17.35 CD1 :: 13.44 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 :: 5.42 HB :: 1.87 HG12 :: 1.49 HG13 :: 1.18 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 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 :: 120.35 Ave N Shift Values>> N :: 121.46(4.28) 1.R113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.15 G 0.03 C Shift Assignments>> C :: 176.03 CA :: 56.18 CB :: 30.77 CG :: 26.17 CD :: 43.00 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.55 HA :: 3.94 HB2 :: 0.78(S) HB3 :: 0.78(S) 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 :: 127.71 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.G114 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 :: 172.65 CA :: 45.10 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.53 HA2 :: 4.00 HA3 :: 3.82 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.41 Ave N Shift Values>> N :: 109.67(3.87) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> CA :: 62.67 CB :: 39.36 CG1 :: 26.86 CG2 :: 17.82 CD1 :: 13.81 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 :: 7.64 HA :: 4.04 HB :: 1.80 HG12 :: 1.28 HG13 :: 1.02 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 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 :: 123.41 Ave N Shift Values>> N :: 121.46(4.28) 2.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.38 HA :: 4.42 HB2 :: 3.87 HB3 :: 3.84 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) 2.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.73 HA :: 4.34 HB2 :: 2.12 HB3 :: 1.98 HG2 :: 2.32 HG3 :: 2.26 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) 2.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.01 HA :: 3.94 HB :: 4.94 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 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) 2.T4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.74 HA :: 3.73 HB :: 4.44 HG21 :: 1.11 HG22 :: 1.11 HG23 :: 1.11 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) 2.L5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.74 HA :: 4.23 HB2 :: 1.58 HB3 :: 1.55 HG :: 1.47 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 HD21 :: 0.81 HD22 :: 0.81 HD23 :: 0.81 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) 2.L6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.31 HA :: 4.53 HB2 :: 1.18 HB3 :: 1.18 HG :: 0.60 HD11 :: 0.32 HD12 :: 0.32 HD13 :: 0.32 HD21 :: 0.01 HD22 :: 0.01 HD23 :: 0.01 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) 2.E7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.63 HA :: 4.31 HB2 :: 1.97 HB3 :: 1.91 HG2 :: 2.13 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) 2.D8 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 7.08 HA :: 3.32(S) HB2 :: 2.74 HB3 :: 2.68 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) 2.E9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.58 HA :: 3.75 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 2.56 HG3 :: 2.56 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) 2.K10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.10 HA :: 3.99 HB2 :: 1.83 HB3 :: 1.74 HG2 :: 1.42 HG3 :: 1.38 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) 2.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.47 HA :: 4.17 HB2 :: 3.82 HB3 :: 3.82 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) 2.L12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.76 HA :: 3.98 HB2 :: 2.07 HB3 :: 1.33 HG :: 1.18 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 HD21 :: 0.26 HD22 :: 0.26 HD23 :: 0.26 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) 2.V13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.56 HA :: 3.42 HB :: 2.16 HG11 :: 1.18 HG12 :: 1.18 HG13 :: 1.18 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 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) 2.S14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.02 HA :: 4.20 HB2 :: 3.94 HB3 :: 3.94 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) 2.Y15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.84 HA :: 4.03 HB2 :: 3.13 HB3 :: 2.93 HD1 :: 6.85 HD2 :: 6.85 HE1 :: 6.78 HE2 :: 6.78 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) 2.L16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.09 HA :: 4.13 HB2 :: 1.72 HB3 :: 1.72 HG :: 1.35 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 HD21 :: 0.17 HD22 :: 0.17 HD23 :: 0.17 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) 2.N17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.68 HA :: 4.66 HB2 :: 2.91 HB3 :: 2.65 HD21 :: 7.59 HD22 :: 6.96 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) 2.Y18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.47 HA :: 4.32 HB2 :: 2.96 HB3 :: 2.96 HD1 :: 7.09 HD2 :: 7.09 HE1 :: 6.85 HE2 :: 6.85 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) 2.ACE19 Overall Status: Residue type ACE not supported. ########################################################################### Overall Results: #Consistent: 126 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 110 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 23 Shift Relative Order (SRO) Results: #Consistent: 131 #Suspicious: 2 C Shift Results: #Consistent: 508 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 920 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 116 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K16 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K16 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.W27 HE1 = 5.53(S), Expected = 10.08, Std = 0.6600, ChiSquare = 5.4268e-12 1.W27 SRO Rule Break>> HE1 > HA : 1 1.W27 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W27 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.G45 HA2 = 5.28(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.9931e-04 1.A47 HB1 = -0.46(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.3658e-12 1.A47 HB2 = -0.46(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.3658e-12 1.A47 HB3 = -0.46(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.3658e-12 1.L111 HD11 = -0.18(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9558e-04 1.L111 HD12 = -0.18(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9558e-04 1.L111 HD13 = -0.18(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9558e-04 1.L111 HD21 = -1.00(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4386e-09 1.L111 HD22 = -1.00(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4386e-09 1.L111 HD23 = -1.00(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4386e-09 1.R113 HB2 = 0.78(S), Expected = 1.79, Std = 0.2700, ChiSquare = 1.8348e-04 1.R113 HB3 = 0.78(S), Expected = 1.76, Std = 0.2800, ChiSquare = 4.6526e-04 2.D8 HA = 3.32(S), Expected = 4.59, Std = 0.3200, ChiSquare = 7.2251e-05