Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 C 0.16 L 0.04 C Shift Assignments>> C :: 174.97 CA :: 53.27 CB :: 39.97 CD1 :: 20.47 CD2 :: 23.37 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 :: 8.25 HA :: 4.56 HB2 :: 1.77 HG :: 1.87 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 1.02 HD22 :: 1.02 HD23 :: 1.02 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 :: 123.61 Ave N Shift Values>> N :: 121.86(3.9) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.46 W 0.28 C 0.25 C Shift Assignments>> C :: 171.57 CA :: 53.37 CB :: 29.47 CG :: 129.67 CD2 :: 118.67 CE1 :: 135.07 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.83 HA :: 5.04 HB2 :: 3.26 HB3 :: 3.33 HD2 :: 7.35 HE1 :: 8.66 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 :: 119.21 ND1 :: 180.21 NE2 :: 175.01 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.24 Q 0.17 K 0.16 C 0.16 H 0.08 R 0.08 W 0.04 E 0.02 C Shift Assignments>> C :: 174.57 CA :: 54.47 CB :: 33.17 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.51 HA :: 4.82 HB2 :: 1.42 HB3 :: 1.53 HG2 :: 0.76 HG3 :: 1.30 HD2 :: 1.02 HD3 :: 1.02 HE2 :: 1.82(S) HE3 :: 1.82(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.31 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.34 C 0.15 M 0.14 H 0.1 R 0.08 W 0.05 K 0.05 Q 0.03 E 0.02 C Shift Assignments>> CA :: 51.77 CB :: 31.57 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 :: 9.29 HA :: 5.06 HB2 :: 2.16 HB3 :: 2.50 HG2 :: 2.47 HG3 :: 2.47 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.11 Ave N Shift Values>> N :: 120.67(3.48) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.61 P 0.38 C Shift Assignments>> C :: 173.67 CA :: 61.67 CB :: 31.57 CG :: 25.77 CD :: 49.17 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 :: 4.94 HB2 :: 2.08 HB3 :: 2.42 HG2 :: 1.90 HG3 :: 1.90 HD2 :: 3.57 HD3 :: 3.94 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.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 A 0.33 C 0.2 K 0.03 P 0.01 G 0.01 HN Overlap>> 1.K63 1.V51 1.K63 1.V51 C Shift Assignments>> C :: 173.77 CA :: 49.87 CB :: 23.17 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.09 HA :: 5.01 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 :: 121.31 Ave N Shift Values>> N :: 123.23(3.54) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.21 A 0.01 C Shift Assignments>> C :: 172.27 CA :: 58.87 CB :: 69.97 CG2 :: 20.67 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 :: 8.09 HA :: 4.73 HB :: 4.12 HG21 :: 1.28 HG22 :: 1.28 HG23 :: 1.28 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 :: 110.41 Ave N Shift Values>> N :: 115.42(4.75) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.3 C 0.29 C Shift Assignments>> C :: 174.87 CA :: 55.07 CB :: 41.37 CD1 :: 21.67 CD2 :: 22.37 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 :: 9.08 HA :: 4.13 HB2 :: 1.15 HB3 :: 1.93 HG :: 1.25 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.89 HD22 :: 0.89 HD23 :: 0.89 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 :: 126.71 Ave N Shift Values>> N :: 121.86(3.9) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 HN Overlap>> 1.L36 1.I139 1.L36 1.I139 C Shift Assignments>> C :: 173.97 CA :: 62.47 CB :: 37.37 CG2 :: 15.27 CD1 :: 12.67 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 :: 8.31 HA :: 4.25 HB :: 1.33 HG12 :: 1.35 HG13 :: 1.35 HG21 :: 0.90 HG22 :: 0.90 HG23 :: 0.90 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.01 Ave N Shift Values>> N :: 121.46(4.28) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.21 C 0.2 K 0.14 E 0.06 H 0.03 R 0.03 W 0.01 Y 0.01 N 0.01 C Shift Assignments>> C :: 172.37 CA :: 54.87 CB :: 34.47 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 :: 8.02 HA :: 4.46 HB2 :: 1.74 HB3 :: 1.84 HG2 :: 1.30 HG3 :: 1.30 HD2 :: 1.65 HD3 :: 1.65 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 :: 115.51 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> C :: 173.87 CA :: 50.67 CB :: 16.67 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.37 HA :: 4.45 HB1 :: 1.37 HB2 :: 1.37 HB3 :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.61 Ave N Shift Values>> N :: 123.23(3.54) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.37 C Shift Assignments>> C :: 173.67 CA :: 61.67 CB :: 36.67 CG2 :: 15.17 CD1 :: 11.67 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 :: 7.93 HA :: 4.06 HB :: 1.58 HG12 :: 1.11 HG13 :: 1.44 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.41 Ave N Shift Values>> N :: 121.46(4.28) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 C 0.13 D 0.06 Y 0.04 F 0.03 M 0.02 E 0.02 L 0.01 C Shift Assignments>> C :: 174.47 CA :: 52.07 CB :: 37.57 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 :: 8.51 HA :: 4.64 HB2 :: 2.93 HB3 :: 3.12 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 :: 119.91 Ave N Shift Values>> N :: 120.65(3.86) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 171.97 CA :: 46.37 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.77 HA2 :: 3.68 HA3 :: 3.83 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.61 Ave N Shift Values>> N :: 109.67(3.87) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.17 C 0.08 L 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 174.67 CA :: 50.37 CB :: 39.27 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 :: 7.69 HA :: 4.89 HB2 :: 2.37 HB3 :: 3.45 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 :: 112.51 Ave N Shift Values>> N :: 120.65(3.86) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 HN Overlap>> 1.L137 1.L137 C Shift Assignments>> C :: 171.27 CA :: 60.07 CB :: 71.07 CG2 :: 20.77 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 :: 7.70 HA :: 5.64 HB :: 3.97 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 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 :: 118.61 Ave N Shift Values>> N :: 115.42(4.75) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.08 A 0.01 C Shift Assignments>> C :: 170.27 CA :: 58.77 CB :: 34.87 CG1 :: 18.57 CG2 :: 20.27 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 :: 9.15 HA :: 4.65 HB :: 1.93 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 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 :: 121.71 Ave N Shift Values>> N :: 121.14(4.54) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.17 K 0.16 C 0.16 H 0.08 R 0.08 W 0.04 E 0.02 C Shift Assignments>> C :: 173.37 CA :: 54.47 CB :: 33.17 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 :: 9.44 HA :: 5.44 HB2 :: 1.67 HB3 :: 2.02 HG2 :: 1.35 HG3 :: 1.35 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 2.83 HE3 :: 2.83 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 :: 128.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.39 C 0.06 A 0.05 C Shift Assignments>> C :: 172.67 CA :: 51.57 CB :: 44.07 CD1 :: 23.47 CD2 :: 23.97 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 :: 9.33 HA :: 5.21 HB2 :: 1.46 HB3 :: 1.78 HG :: 1.50 HD11 :: 0.02 HD12 :: 0.02 HD13 :: 0.02 HD21 :: 0.74 HD22 :: 0.74 HD23 :: 0.74 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.51 Ave N Shift Values>> N :: 121.86(3.9) 1.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.26 K 0.2 R 0.05 Q 0.02 C Shift Assignments>> C :: 173.47 CA :: 53.37 CB :: 30.67 CG :: 30.17 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 :: 9.51 HA :: 4.88 HB2 :: 1.75 HB3 :: 2.28 HG2 :: 2.17 HG3 :: 2.50 HE1 :: 1.97 HE2 :: 1.97 HE3 :: 1.97 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 :: 123.51 Ave N Shift Values>> N :: 120.09(3.57) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 172.17 CA :: 55.17 CB :: 40.17 CG :: 127.37 CD1 :: 132.17 CE1 :: 116.67 CZ :: 156.67 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.03 HA :: 5.06 HB2 :: 3.01 HB3 :: 3.19 HD1 :: 7.34 HD2 :: 7.34 HE1 :: 6.92 HE2 :: 6.92 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 :: 131.01 Ave N Shift Values>> N :: 120.52(4.2) 1.K28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.17 Q 0.15 R 0.15 W 0.13 E 0.13 C 0.12 M 0.07 K 0.04 C Shift Assignments>> C :: 175.17 CA :: 55.67 CB :: 29.97 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 :: 9.25 HA :: 3.60 HB2 :: 1.38 HB3 :: 1.71 HG2 :: 0.52 HG3 :: 0.52 HD2 :: 0.83(S) HD3 :: 0.83(S) HE2 :: 2.95 HE3 :: 2.95 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 :: 128.91 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.3 G 0.2 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.97 CA :: 43.87 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.37 HA2 :: 3.51 HA3 :: 4.14 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.61 Ave N Shift Values>> N :: 109.67(3.87) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 C 0.14 H 0.08 R 0.06 W 0.05 Q 0.04 M 0.04 K 0.02 E 0.01 HN Overlap>> 1.V114 1.V114 C Shift Assignments>> CA :: 50.67 CB :: 29.87 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 :: 7.82 HA :: 5.04 HB2 :: 2.08 HB3 :: 2.18 HG2 :: 2.38 HG3 :: 2.38 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.81 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.73 P 0.25 C Shift Assignments>> C :: 175.47 CA :: 61.07 CB :: 30.47 CG :: 26.17 CD :: 49.27 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 :: 4.86 HB2 :: 1.96 HB3 :: 2.01 HG2 :: 2.26 HG3 :: 2.26 HD2 :: 3.20 HD3 :: 3.80 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.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.28 M 0.19 Q 0.14 K 0.07 C Shift Assignments>> C :: 172.77 CA :: 54.27 CB :: 35.57 CG :: 30.47 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 :: 9.50 HA :: 4.65 HB2 :: 1.98 HB3 :: 2.10 HG2 :: 2.44 HG3 :: 2.44 HE1 :: 1.90 HE2 :: 1.90 HE3 :: 1.90 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 :: 126.91 Ave N Shift Values>> N :: 120.09(3.57) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.19 S 0.08 C Shift Assignments>> C :: 171.37 CA :: 62.27 CB :: 66.67 CG2 :: 21.27 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 :: 8.86 HA :: 4.49 HB :: 3.98 HG21 :: 0.95 HG22 :: 0.95 HG23 :: 0.95 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 :: 125.11 Ave N Shift Values>> N :: 115.42(4.75) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 171.67 CA :: 55.77 CB :: 40.77 CG :: 138.57 CD1 :: 129.67 CD2 :: 129.67 CE1 :: 129.67 CE2 :: 129.67 CZ :: 128.17 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 :: 9.69 HA :: 4.94 HB2 :: 2.37 HB3 :: 2.89 HD1 :: 6.89 HD2 :: 6.89 HE1 :: 6.91 HE2 :: 6.91 HZ :: 6.64 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 :: 127.31 Ave N Shift Values>> N :: 120.45(4.18) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.78 L 0.09 C 0.06 R 0.02 K 0.02 C Shift Assignments>> C :: 172.57 CA :: 50.47 CG :: 25.67 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 :: 9.84 HA :: 4.99 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 1.13 HG3 :: 1.20 HD2 :: 3.85 HD3 :: 3.85 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 :: 126.11 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.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.24 A 0.08 HN Overlap>> 1.I15 1.I15 1.E52 1.I139 1.E52 1.I139 C Shift Assignments>> C :: 176.07 CA :: 54.67 CB :: 40.67 CD1 :: 22.87 CD2 :: 24.67 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 :: 8.33 HA :: 4.38 HB2 :: 1.49 HB3 :: 1.63 HG :: 1.69 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.91 Ave N Shift Values>> N :: 121.86(3.9) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.17 G 0.17 C Shift Assignments>> C :: 176.07 CA :: 54.57 CB :: 43.77 CD1 :: 24.77 CD2 :: 24.97 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 :: 7.46 HA :: 3.93 HB2 :: 0.68 HB3 :: 1.02 HG :: 1.25 HD11 :: 0.37 HD12 :: 0.37 HD13 :: 0.37 HD21 :: 1.18 HD22 :: 1.18 HD23 :: 1.18 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 :: 123.51 Ave N Shift Values>> N :: 121.86(3.9) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.44 A 0.03 C Shift Assignments>> C :: 173.27 CA :: 54.77 CB :: 39.07 CD1 :: 23.67 CD2 :: 25.57 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 :: 9.32 HA :: 4.31 HB2 :: 1.91 HB3 :: 2.25 HG :: 1.87 HD11 :: 1.10 HD12 :: 1.10 HD13 :: 1.10 HD21 :: 1.17 HD22 :: 1.17 HD23 :: 1.17 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) N Shift Assignments>> N :: 113.21 Ave N Shift Values>> N :: 121.86(3.9) 1.V39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.64 A 0.35 C Shift Assignments>> C :: 174.27 CA :: 55.87 CB :: 35.67 CG1 :: 17.67 CG2 :: 19.67 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.94 HA :: 5.74 HB :: 1.87 HG11 :: 0.73 HG12 :: 0.73 HG13 :: 0.73 HG21 :: 1.02 HG22 :: 1.02 HG23 :: 1.02 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 :: 105.21(S) Ave N Shift Values>> N :: 121.14(4.54) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.R126 1.R126 C Shift Assignments>> C :: 174.77 CA :: 52.87 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 :: 8.88 HA :: 5.22 HB2 :: 2.33 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 :: 120.41 Ave N Shift Values>> N :: 120.65(3.86) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 S 0.29 A 0.24 T 0.1 C Shift Assignments>> CA :: 56.87 CB :: 66.57 CG2 :: 20.97 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 :: 9.20 HA :: 5.14 HB :: 4.23 HG21 :: 1.18 HG22 :: 1.18 HG23 :: 1.18 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 :: 120.81 Ave N Shift Values>> N :: 115.42(4.75) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.85 G 0.07 P 0.06 C Shift Assignments>> CA :: 61.67 CB :: 30.57 CD :: 47.97 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 :: 4.43 HB2 :: 1.98 HB3 :: 2.30 HG2 :: 2.21 HG3 :: 2.21 HD2 :: 3.56 HD3 :: 3.64 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.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.16 N 0.12 L 0.1 A 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 C 0.04 W 0.03 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 174.17 CA :: 54.37 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 :: 8.12 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 2.25 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) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.18 S 0.03 C Shift Assignments>> C :: 172.77 CA :: 60.77 CB :: 67.57 CG2 :: 20.77 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 :: 8.30 HA :: 4.38 HB :: 4.29 HG21 :: 1.14 HG22 :: 1.14 HG23 :: 1.14 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 :: 114.21 Ave N Shift Values>> N :: 115.42(4.75) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 H 0.15 R 0.15 C 0.13 W 0.1 K 0.1 E 0.08 Q 0.08 C Shift Assignments>> C :: 174.27 CA :: 54.87 CB :: 31.27 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 :: 8.13 HA :: 4.26 HB2 :: 1.65 HB3 :: 1.65 HG2 :: 1.35 HG3 :: 1.35 HD2 :: 1.65 HD3 :: 1.65 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 :: 124.01 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.7 C 0.26 W 0.02 HN Overlap>> 1.K49 1.K49 C Shift Assignments>> CA :: 52.77 CB :: 28.97 CG :: 132.07 CD2 :: 118.57 CE1 :: 136.07 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.34 HA :: 4.89 HB2 :: 3.12 HB3 :: 3.17 HD2 :: 7.31 HE1 :: 8.31 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 :: 120.81 NE2 :: 172.41 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 175.47 CA :: 63.07 CB :: 30.57 CD :: 49.37 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.30 HB2 :: 1.91 HB3 :: 2.25 HD2 :: 3.55 HD3 :: 3.73 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.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.14 C 0.14 R 0.14 H 0.13 W 0.08 E 0.07 Q 0.05 C Shift Assignments>> C :: 175.27 CA :: 55.27 CB :: 31.97 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 :: 8.72 HA :: 4.32 HB2 :: 1.89 HB3 :: 1.94 HG2 :: 1.46 HG3 :: 1.52 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 3.02 HE3 :: 3.02 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 :: 120.61 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.14 K 0.14 R 0.14 H 0.13 W 0.08 E 0.06 Q 0.05 HN Overlap>> 1.H46 1.H46 C Shift Assignments>> C :: 174.87 CA :: 54.87 CB :: 31.97 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 :: 8.34 HA :: 4.33 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 1.33 HG3 :: 1.33 HD2 :: 1.62 HD3 :: 1.62 HE2 :: 3.17 HE3 :: 3.17 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 :: 120.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G50 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 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 171.87 CA :: 43.97 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.23 HA2 :: 3.81 HA3 :: 4.14 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.01 Ave N Shift Values>> N :: 109.67(3.87) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 HN Overlap>> 1.K63 1.K63 1.A12 1.A12 C Shift Assignments>> C :: 172.37 CA :: 60.67 CB :: 30.77 CG1 :: 20.47 CG2 :: 21.27 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 :: 8.02 HA :: 4.10 HB :: 2.08 HG11 :: 0.95 HG12 :: 0.95 HG13 :: 0.95 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 :: 121.31 Ave N Shift Values>> N :: 121.14(4.54) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 C 0.12 T 0.11 V 0.1 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 HN Overlap>> 1.L36 1.L36 C Shift Assignments>> CA :: 60.37 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.24 HA :: 4.29 HB2 :: 2.06 HB3 :: 2.24 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 :: 125.91 Ave N Shift Values>> N :: 120.67(3.48) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.83 I 0.07 K 0.05 E 0.01 M 0.01 C Shift Assignments>> CA :: 56.97 CB :: 30.77 CE :: 39.87 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 3.85 HB2 :: 1.50 HB3 :: 1.60 HG2 :: 0.90 HG3 :: 1.05 HD2 :: 1.50 HD3 :: 1.50 HE2 :: 2.78 HE3 :: 2.78 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.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Y 0.35 C Shift Assignments>> C :: 173.97 CA :: 60.07 CB :: 37.07 CG :: 128.67 CD1 :: 130.87 CD2 :: 130.87 CE1 :: 116.77 CE2 :: 116.77 CZ :: 155.67 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.69 HA :: 4.04 HB2 :: 3.12 HB3 :: 3.32 HD1 :: 6.82 HD2 :: 6.82 HE1 :: 6.73 HE2 :: 6.73 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 :: 119.31 Ave N Shift Values>> N :: 120.52(4.2) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> CA :: 46.87 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.61 HA2 :: 3.73 HA3 :: 3.88 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.01 Ave N Shift Values>> N :: 109.67(3.87) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.87 CD :: 49.97 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 :: 4.24 HB2 :: 1.87 HB3 :: 2.40 HG2 :: 2.17 HG3 :: 2.17 HD2 :: 3.73 HD3 :: 3.86 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.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 R 0.04 V 0.04 T 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.67 CA :: 59.27 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.38 I 0.01 C 0.01 C Shift Assignments>> C :: 176.87 CA :: 54.07 CB :: 16.77 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.82 HA :: 4.17 HB1 :: 1.72 HB2 :: 1.72 HB3 :: 1.72 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.31 Ave N Shift Values>> N :: 123.23(3.54) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.17 CA :: 61.17 CB :: 60.27 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.30 HA :: 3.98 HB2 :: 3.74 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 :: 113.31 Ave N Shift Values>> N :: 116.28(3.52) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.48 C 0.01 C Shift Assignments>> C :: 177.47 CA :: 53.37 CB :: 16.67 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.25 HA :: 4.05 HB1 :: 1.51 HB2 :: 1.51 HB3 :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.01 Ave N Shift Values>> N :: 123.23(3.54) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.47 C Shift Assignments>> C :: 176.27 CA :: 60.27 CB :: 38.27 CG :: 136.17 CD1 :: 130.77 CD2 :: 130.77 CE1 :: 129.07 CE2 :: 129.07 CZ :: 128.27 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 :: 8.15 HA :: 4.05 HB2 :: 3.14 HB3 :: 3.33 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 7.21 HE2 :: 7.21 HZ :: 7.19 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 :: 122.71 Ave N Shift Values>> N :: 120.45(4.18) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.1 C Shift Assignments>> C :: 173.77 CA :: 66.07 CB :: 66.47 CG2 :: 20.67 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 :: 8.58 HA :: 3.60 HB :: 4.12 HG21 :: 1.01 HG22 :: 1.01 HG23 :: 1.01 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 :: 121.41 Ave N Shift Values>> N :: 115.42(4.75) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.16 I 0.13 Q 0.12 E 0.12 R 0.1 H 0.09 L 0.02 M 0.01 HN Overlap>> 1.V51 1.A12 1.V51 1.A12 C Shift Assignments>> C :: 175.27 CA :: 58.87 CB :: 28.37 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 :: 8.04 HA :: 3.58 HB2 :: 1.38 HB3 :: 1.77 HG2 :: 0.84 HG3 :: 1.15 HD2 :: 1.28 HD3 :: 1.63 HE2 :: 3.01 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 :: 121.31 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 R 0.14 H 0.13 Q 0.11 M 0.06 K 0.05 V 0.01 I 0.01 C Shift Assignments>> C :: 176.97 CA :: 57.77 CB :: 30.37 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 :: 7.95 HA :: 3.93 HB2 :: 1.76 HB3 :: 1.76 HG2 :: 1.31 HG3 :: 1.39 HD2 :: 1.61 HD3 :: 1.61 HE2 :: 2.87 HE3 :: 2.87 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.31 K 0.1 Q 0.06 C Shift Assignments>> C :: 177.37 CA :: 58.07 CB :: 31.47 CG :: 31.07 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 :: 7.65 HA :: 3.92 HB2 :: 1.80 HB3 :: 2.16 HG2 :: 2.46 HG3 :: 2.46 HE1 :: 1.94 HE2 :: 1.94 HE3 :: 1.94 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 :: 117.61 Ave N Shift Values>> N :: 120.09(3.57) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.19 C Shift Assignments>> C :: 175.77 CA :: 62.57 CB :: 29.87 CG1 :: 18.47 CG2 :: 20.27 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 :: 8.22 HA :: 4.17 HB :: 2.15 HG11 :: 0.89 HG12 :: 0.89 HG13 :: 0.89 HG21 :: 1.15 HG22 :: 1.15 HG23 :: 1.15 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 :: 109.11 Ave N Shift Values>> N :: 121.14(4.54) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.14 Q 0.12 L 0.11 W 0.09 K 0.08 H 0.07 E 0.07 I 0.06 C Shift Assignments>> C :: 176.17 CA :: 57.57 CB :: 27.47 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 :: 8.78 HA :: 3.98 HB2 :: 1.87 HB3 :: 2.06 HG2 :: 2.20 HG3 :: 2.49 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 :: 122.41 Ave N Shift Values>> N :: 120.67(3.48) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.17 M 0.05 E 0.04 Y 0.04 D 0.03 F 0.03 C Shift Assignments>> C :: 172.77 CA :: 52.07 CB :: 36.97 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 :: 7.32 HA :: 4.69 HB2 :: 2.78 HB3 :: 2.81 HD21 :: 6.98 HD22 :: 7.76 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.91 ND2 :: 114.21 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C Shift Assignments>> C :: 175.97 CA :: 49.77 CB :: 17.77 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.68 HA :: 4.52 HB1 :: 1.32 HB2 :: 1.32 HB3 :: 1.32 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.71 Ave N Shift Values>> N :: 123.23(3.54) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 W 0.13 E 0.13 C 0.12 Q 0.11 M 0.09 K 0.07 C Shift Assignments>> C :: 176.07 CA :: 56.27 CB :: 30.67 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 :: 10.11 HA :: 4.35 HB2 :: 1.94 HB3 :: 2.03 HG2 :: 1.56 HG3 :: 1.61 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.06 HE3 :: 3.06 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.01 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 Q 0.21 C 0.2 K 0.14 H 0.04 R 0.04 E 0.02 W 0.02 N 0.01 C Shift Assignments>> C :: 172.97 CA :: 53.87 CB :: 34.07 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 :: 8.85 HA :: 4.66 HB2 :: 1.69 HB3 :: 1.86 HG2 :: 1.25 HG3 :: 1.47 HD2 :: 1.69 HD3 :: 1.69 HE2 :: 2.90 HE3 :: 2.90 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 :: 122.51 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.17 A 0.03 C Shift Assignments>> C :: 173.67 CA :: 57.17 CB :: 36.67 CG2 :: 15.97 CD1 :: 11.37 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 :: 8.86 HA :: 5.23 HB :: 1.89 HG12 :: 1.15 HG13 :: 1.33 HG21 :: 0.64 HG22 :: 0.64 HG23 :: 0.64 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 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 :: 130.41 Ave N Shift Values>> N :: 121.46(4.28) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.27 Q 0.15 K 0.09 N 0.07 H 0.02 R 0.02 P 0.01 W 0.01 Y 0.01 C Shift Assignments>> C :: 173.37 CA :: 52.17 CB :: 34.67 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.80 HA :: 5.27 HB2 :: 1.74 HB3 :: 1.92 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.51 Ave N Shift Values>> N :: 120.67(3.48) 1.V74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 V 0.11 A 0.04 C Shift Assignments>> C :: 172.47 CA :: 57.97 CB :: 33.07 CG1 :: 18.77 CG2 :: 20.07 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 :: 9.54 HA :: 4.62 HB :: 1.29 HG11 :: -0.14(S) HG12 :: -0.14(S) HG13 :: -0.14(S) HG21 :: 0.3 HG22 :: 0.3 HG23 :: 0.3 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 :: 118.71 Ave N Shift Values>> N :: 121.14(4.54) 1.E75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.28 C 0.25 Q 0.19 K 0.12 H 0.03 N 0.03 R 0.03 W 0.01 C Shift Assignments>> C :: 173.87 CA :: 52.87 CB :: 34.37 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 :: 8.82 HA :: 5.15 HB2 :: 1.83 HB3 :: 2.91(S) HG2 :: 2.21 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 :: 128.11 Ave N Shift Values>> N :: 120.67(3.48) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 173.77 CA :: 57.97 CB :: 38.17 CG :: 138.37 CD1 :: 131.17 CD2 :: 131.17 CE1 :: 129.57 CE2 :: 129.57 CZ :: 127.27 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 :: 8.79 HA :: 4.77 HB2 :: 2.92 HB3 :: 3.55 HD1 :: 7.69 HD2 :: 7.69 HE1 :: 7.27 HE2 :: 7.27 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 :: 128.41 Ave N Shift Values>> N :: 120.45(4.18) 1.D77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.37 L 0.19 N 0.19 C 0.07 K 0.04 F 0.03 G 0.03 R 0.02 Y 0.01 C Shift Assignments>> C :: 175.77 CA :: 50.37 CB :: 41.77 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 :: 9.26 HA :: 5.32 HB2 :: 2.48 HB3 :: 3.83(S) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.71 Ave N Shift Values>> N :: 120.65(3.86) 1.K78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.17 K 0.16 C 0.15 R 0.13 H 0.12 W 0.09 E 0.07 Q 0.05 V 0.01 C Shift Assignments>> C :: 175.37 CA :: 56.37 CB :: 32.07 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 :: 10.31(S) HA :: 4.24 HB2 :: 1.82 HB3 :: 1.91 HG2 :: 0.77 HG3 :: 0.90 HD2 :: 1.57 HD3 :: 1.61 HE2 :: 3.13 HE3 :: 3.13 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 :: 120.61 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 D 0.07 K 0.06 F 0.05 G 0.03 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 171.87 CA :: 43.07 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.64 HA2 :: 3.33 HA3 :: 4.42 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.21 Ave N Shift Values>> N :: 109.67(3.87) 1.Q80 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.4 C 0.38 H 0.21 C Shift Assignments>> C :: 175.27 CA :: 55.47 CB :: 27.87 CG :: 125.57(A) 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 :: 8.68 HA :: 4.14 HB2 :: 2.00 HB3 :: 2.11 HG2 :: 2.47 HG3 :: 2.47 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) SRO Rule Breaks>> (CA > CG : 1.0000) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.16 C 0.15 R 0.13 H 0.12 W 0.09 E 0.07 Q 0.05 V 0.01 C Shift Assignments>> C :: 174.47 CA :: 56.27 CB :: 32.07 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 :: 4.16 HB2 :: 1.62 HB3 :: 1.76 HG2 :: 1.41 HG3 :: 1.41 HD2 :: 3.01 HD3 :: 3.01 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 :: 121.91 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.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 C 0.3 T 0.18 C Shift Assignments>> C :: 172.87 CA :: 56.77 CB :: 71.07 CG2 :: 19.87 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 :: 5.56 HB :: 3.84 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 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 :: 108.81 Ave N Shift Values>> N :: 115.42(4.75) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.31 L 0.09 C 0.07 F 0.03 Y 0.02 HN Overlap>> 1.R87 1.R87 C Shift Assignments>> C :: 177.37 CA :: 50.27 CB :: 40.47 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 :: 8.75 HA :: 4.64 HB2 :: 2.41 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 :: 122.81 Ave N Shift Values>> N :: 120.65(3.86) 1.K84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.16 Q 0.16 E 0.14 W 0.14 R 0.14 C 0.12 M 0.05 K 0.03 I 0.01 C Shift Assignments>> C :: 174.37 CA :: 56.07 CB :: 29.67 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 :: 4.07 HB2 :: 1.50 HB3 :: 1.66 HG2 :: 0.10(S) HG3 :: 0.90 HD2 :: 1.45 HD3 :: 1.45 HE2 :: 2.72 HE3 :: 2.72 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 :: 116.81 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Y 0.41 C Shift Assignments>> C :: 174.37 CA :: 55.87 CB :: 36.67 CG :: 129.87 CD1 :: 131.07 CD2 :: 131.07 CE1 :: 116.87 CE2 :: 116.87 CZ :: 156.17 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 :: 8.15 HA :: 4.65 HB2 :: 2.85 HB3 :: 3.36 HD1 :: 7.02 HD2 :: 7.02 HE1 :: 6.91 HE2 :: 6.91 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.51 Ave N Shift Values>> N :: 120.52(4.2) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.57 CA :: 43.77 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.18 HA2 :: 3.61 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 :: 110.31 Ave N Shift Values>> N :: 109.67(3.87) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.21 C 0.13 Q 0.1 H 0.07 W 0.05 K 0.03 E 0.02 HN Overlap>> 1.D83 1.D83 C Shift Assignments>> C :: 175.37 CA :: 53.67 CG :: 26.97 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 :: 8.67 HA :: 4.39 HB2 :: 1.69 HB3 :: 1.99 HG2 :: 1.20 HG3 :: 1.30 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 :: 122.81 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.G88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 L 0.28 G 0.07 D 0.06 F 0.05 K 0.03 C 0.03 Y 0.03 C Shift Assignments>> C :: 170.27 CA :: 43.37 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.80 HA2 :: 2.68(S) HA3 :: 4.46 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.71 Ave N Shift Values>> N :: 109.67(3.87) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 C 0.06 L 0.03 C Shift Assignments>> C :: 173.07 CA :: 51.17 CB :: 41.27 CD1 :: 20.47 CD2 :: 23.37 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 :: 8.32 HA :: 5.21 HB2 :: 1.12 HB3 :: 1.70 HG :: 1.44 HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 HD21 :: 0.66 HD22 :: 0.66 HD23 :: 0.66 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 :: 127.51 Ave N Shift Values>> N :: 121.86(3.9) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 G 0.14 L 0.14 C 0.13 C Shift Assignments>> C :: 175.57 CA :: 49.07 CB :: 22.37 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.32 HA :: 4.81 HB1 :: 0.75 HB2 :: 0.75 HB3 :: 0.75 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.51 Ave N Shift Values>> N :: 123.23(3.54) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 Y 0.26 H 0.02 C Shift Assignments>> C :: 172.87 CA :: 56.17 CB :: 36.17 CE1 :: 116.57 CE2 :: 116.57 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 :: 9.02 HA :: 4.63 HB2 :: 2.78 HB3 :: 3.40 HD1 :: 7.15 HD2 :: 7.15 HE1 :: 6.58 HE2 :: 6.58 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 :: 123.61 Ave N Shift Values>> N :: 120.52(4.2) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 I 0.08 A 0.01 HN Overlap>> 1.K134 1.K134 C Shift Assignments>> C :: 171.97 CA :: 57.17 CB :: 37.57 CG2 :: 15.07 CD1 :: 10.67 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 :: 7.79 HA :: 4.97 HB :: 1.46 HG12 :: 0.98 HG13 :: 1.17 HG21 :: 0.64 HG22 :: 0.64 HG23 :: 0.64 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 :: 123.51 Ave N Shift Values>> N :: 121.46(4.28) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 172.27 CA :: 54.67 CB :: 39.77 CG :: 130.47 CD1 :: 130.97 CD2 :: 130.97 CE1 :: 116.37 CE2 :: 116.37 CZ :: 156.47 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 :: 9.52 HA :: 5.11 HB2 :: 2.36 HB3 :: 2.84 HD1 :: 6.63 HD2 :: 6.63 HE1 :: 6.73 HE2 :: 6.73 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.81 Ave N Shift Values>> N :: 120.52(4.2) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 G 0.44 C 0.01 C Shift Assignments>> C :: 173.97 CA :: 48.17 CB :: 19.37 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.23 HA :: 4.98 HB1 :: 1.13 HB2 :: 1.13 HB3 :: 1.13 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.21 Ave N Shift Values>> N :: 123.23(3.54) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.16 Y 0.15 F 0.12 D 0.09 E 0.05 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.37 CA :: 54.77 CB :: 38.07 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.65 HA :: 4.43 HB2 :: 2.74 HB3 :: 2.95 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.81 Ave N Shift Values>> N :: 120.65(3.86) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.13 D 0.05 F 0.05 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.17 CA :: 43.67 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.28 HA2 :: 3.67 HA3 :: 4.25 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.31 Ave N Shift Values>> N :: 109.67(3.87) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.17 H 0.14 R 0.13 K 0.09 W 0.08 Q 0.05 P 0.04 E 0.03 C Shift Assignments>> C :: 174.37 CA :: 52.67 CB :: 31.67 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 :: 7.86 HA :: 4.66 HB2 :: 1.74 HB3 :: 1.85 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 1.74 HD3 :: 1.74 HE2 :: 3.06 HE3 :: 3.06 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 :: 122.81 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 R 0.28 Q 0.24 K 0.16 C Shift Assignments>> C :: 175.87 CA :: 54.47 CB :: 32.87 CG :: 27.27(S) 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 :: 9.23 HA :: 3.83 HB2 :: 1.93 HB3 :: 1.98 HG2 :: 2.36 HG3 :: 2.36 HE1 :: 1.44 HE2 :: 1.44 HE3 :: 1.44 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 :: 128.21 Ave N Shift Values>> N :: 120.09(3.57) 1.V99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> V 0.63 C 0.35 C Shift Assignments>> C :: 175.47 CA :: 64.47 CB :: 30.97 CG1 :: 19.27 CG2 :: 19.97 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 :: 10.10 HA :: 3.70 HB :: 1.83 HG11 :: 0.98 HG12 :: 0.98 HG13 :: 0.98 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 :: 137.41(S) Ave N Shift Values>> N :: 121.14(4.54) 1.N100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> M 0.22 K 0.18 Q 0.17 C 0.16 R 0.08 H 0.07 W 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 172.47 CA :: 55.57 CB :: 33.17 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 :: 9.58 HA :: 4.07 HB2 :: 2.79 HB3 :: 2.93 HD21 :: 9.58(S) HD22 :: 6.27 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 :: 109.61 ND2 :: 121.31(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.14 C 0.14 Q 0.13 W 0.13 E 0.11 H 0.1 R 0.09 I 0.06 L 0.03 M 0.01 C Shift Assignments>> C :: 174.47 CA :: 57.97 CB :: 28.47 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 :: 6.15(S) HA :: 3.69 HB2 :: 1.90 HB3 :: 2.25 HG2 :: 2.10 HG3 :: 2.10 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.21 Ave N Shift Values>> N :: 120.67(3.48) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.43 C 0.01 I 0.01 HN Overlap>> 1.A132 1.A132 C Shift Assignments>> C :: 177.97 CA :: 53.67 CB :: 16.67 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.84 HA :: 4.08 HB1 :: 1.69 HB2 :: 1.69 HB3 :: 1.69 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.31 Ave N Shift Values>> N :: 123.23(3.54) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.33 G 0.26 A 0.03 C Shift Assignments>> C :: 177.27 CA :: 56.27 CB :: 44.07 CD1 :: 22.47 CD2 :: 25.47 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 :: 8.00 HA :: 3.34 HB2 :: 1.02 HB3 :: 1.72 HG :: 1.64 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 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 :: 116.91 Ave N Shift Values>> N :: 121.86(3.9) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 178.47 CA :: 63.27 CB :: 30.47 CG1 :: 21.07 CG2 :: 22.47 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.87 HA :: 3.98 HB :: 2.10 HG11 :: 1.05 HG12 :: 1.05 HG13 :: 1.05 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 :: 117.81 Ave N Shift Values>> N :: 121.14(4.54) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.34 K 0.15 M 0.02 C Shift Assignments>> C :: 174.37 CA :: 55.57 CB :: 30.27 CG :: 27.77 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 :: 9.04 HA :: 4.13 HB2 :: 2.00 HB3 :: 2.00 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 :: 124.21 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.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.17 C 0.14 P 0.12 Q 0.07 H 0.05 W 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 173.97 CA :: 52.37 CB :: 26.87 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 :: 7.15 HA :: 4.33 HB2 :: 1.49 HB3 :: 1.99 HG2 :: 2.28 HG3 :: 2.38 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 :: 113.41 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.05 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 170.57 CA :: 44.87 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.01 HA2 :: 4.01 HA3 :: 4.28 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.11 Ave N Shift Values>> N :: 109.67(3.87) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 L 0.13 C 0.1 G 0.02 C Shift Assignments>> C :: 171.27 CA :: 51.97 CB :: 42.17 CD1 :: 21.07 CD2 :: 24.27 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 :: 7.76 HA :: 4.30 HB2 :: 1.22 HB3 :: 1.45 HG :: 1.21 HD11 :: 0.45 HD12 :: 0.45 HD13 :: 0.45 HD21 :: 0.75 HD22 :: 0.75 HD23 :: 0.75 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 :: 116.51 Ave N Shift Values>> N :: 121.86(3.9) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.15 C 0.03 A 0.01 C Shift Assignments>> C :: 173.17 CA :: 47.87 CB :: 23.47 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.92 HA :: 4.53 HB1 :: 1.03 HB2 :: 1.03 HB3 :: 1.03 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 114.81 Ave N Shift Values>> N :: 123.23(3.54) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.24 Q 0.16 K 0.1 P 0.05 H 0.05 R 0.04 W 0.02 N 0.01 E 0.01 HN Overlap>> 1.L137 1.L137 C Shift Assignments>> C :: 174.37 CA :: 52.17 CB :: 33.87 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.59 HA :: 5.13 HB2 :: 1.83 HB3 :: 1.83 HG2 :: 1.20 HG3 :: 1.36 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 2.54 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 :: 118.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.09 I 0.01 C Shift Assignments>> C :: 174.67 CA :: 61.57 CB :: 29.07 CG1 :: 18.77 CG2 :: 19.67 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 :: 9.13 HA :: 4.71 HB :: 1.99 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 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 :: 125.11 Ave N Shift Values>> N :: 121.14(4.54) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 L 0.26 C 0.19 G 0.06 K 0.01 C Shift Assignments>> C :: 171.47 CA :: 49.37 CB :: 22.87 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.92 HA :: 4.17 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 :: 132.71 Ave N Shift Values>> N :: 123.23(3.54) 1.Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 Y 0.04 H 0.02 C Shift Assignments>> C :: 172.57 CA :: 55.87 CB :: 33.17 CG :: 130.27 CD1 :: 131.07 CD2 :: 131.07 CE1 :: 116.27 CE2 :: 116.27 CZ :: 155.87 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 :: 7.78 HA :: 3.44 HB2 :: 2.57 HB3 :: 2.97 HD1 :: 6.98 HD2 :: 6.98 HE1 :: 6.74 HE2 :: 6.74 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 :: 111.91 Ave N Shift Values>> N :: 120.52(4.2) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 V 0.03 I 0.01 HN Overlap>> 1.Q30 1.Q30 C Shift Assignments>> C :: 173.17 CA :: 60.87 CB :: 28.17 CG1 :: 18.57 CG2 :: 20.27 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 :: 7.74 HA :: 3.60 HB :: 1.93 HG11 :: 0.58 HG12 :: 0.58 HG13 :: 0.58 HG21 :: 0.71 HG22 :: 0.71 HG23 :: 0.71 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 :: 120.81 Ave N Shift Values>> N :: 121.14(4.54) 1.Y115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Y 0.45 C Shift Assignments>> C :: 173.97 CA :: 53.27 CB :: 36.77 CG :: 129.37 CD1 :: 132.07 CD2 :: 132.07 CE1 :: 115.77 CE2 :: 115.77 CZ :: 155.27 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 :: 8.97 HA :: 5.03 HB2 :: 3.00 HB3 :: 3.11 HD1 :: 7.15 HD2 :: 7.15 HE1 :: 6.60 HE2 :: 6.60 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 :: 131.71 Ave N Shift Values>> N :: 120.52(4.2) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 Q 0.13 C 0.13 W 0.12 E 0.1 M 0.09 K 0.05 C Shift Assignments>> CA :: 54.47 CB :: 30.27 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.65 HA :: 4.01 HB2 :: 1.76 HB3 :: 1.76 HG2 :: 1.33 HG3 :: 1.51 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 3.02 HE3 :: 3.02 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 :: 126.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P117 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.87 CA :: 62.47 CD :: 58.57(A) 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 :: 4.66 HB2 :: 2.16 HB3 :: 2.40 HG2 :: 2.01 HG3 :: 2.01 HD2 :: 3.51 HD3 :: 3.56 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.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 P 0.31 M 0.12 N 0.1 Q 0.04 K 0.02 H 0.01 C Shift Assignments>> C :: 172.97 CA :: 49.87 CB :: 34.87 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 :: 8.62 HA :: 5.32 HB2 :: 3.12 HB3 :: 3.28 HD21 :: 7.48 HD22 :: 8.14 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 :: 130.01 ND2 :: 108.91 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.16 D 0.04 Y 0.02 M 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 175.77 CA :: 50.67 CB :: 37.37 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 :: 8.15 HA :: 5.04 HB2 :: 2.06 HB3 :: 3.18 HD21 :: 7.67 HD22 :: 6.75 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 :: 119.11 ND2 :: 111.81 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 T 0.17 S 0.03 C Shift Assignments>> C :: 174.57 CA :: 67.27 CB :: 65.07 CG2 :: 20.07 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 10.54(S) HA :: 3.91 HB :: 3.81 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 :: 125.21 Ave N Shift Values>> N :: 115.42(4.75) 1.H121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.57 C 0.33 W 0.08 C Shift Assignments>> C :: 172.57 CA :: 51.87 CB :: 27.17 CG :: 130.37 CD2 :: 117.77 CE1 :: 136.07 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 :: 6.93 HA :: 5.47 HB2 :: 2.35 HB3 :: 3.28 HD2 :: 4.32(S) HE1 :: 8.01 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 :: 113.11 ND1 :: 214.01 NE2 :: 170.71 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 I 0.22 K 0.17 R 0.12 L 0.06 W 0.04 Q 0.03 H 0.02 E 0.01 P 0.01 C Shift Assignments>> C :: 175.57 CA :: 59.67 CB :: 25.87 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 :: 7.53 HA :: 3.71 HB2 :: 2.06 HB3 :: 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 :: 121.51 Ave N Shift Values>> N :: 120.67(3.48) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 C 0.2 R 0.17 L 0.14 I 0.09 Q 0.05 W 0.04 H 0.03 E 0.01 C Shift Assignments>> C :: 176.67 CA :: 58.17 CB :: 25.87 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 :: 8.87 HA :: 4.00 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.44 HG3 :: 2.50 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 :: 119.01 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.46 A 0.03 HN Overlap>> 1.E142 1.E142 C Shift Assignments>> C :: 177.37 CA :: 56.77 CB :: 40.57 CG :: 25.57 CD1 :: 22.47 CD2 :: 24.17 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 :: 7.79 HA :: 4.12 HB2 :: 1.81 HB3 :: 1.81 HG :: 1.51 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.61 Ave N Shift Values>> N :: 121.86(3.9) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.33 A 0.03 C Shift Assignments>> C :: 177.37 CA :: 57.07 CB :: 39.57 CG :: 27.27 CD1 :: 22.17 CD2 :: 25.07 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 :: 7.68 HA :: 4.03 HB2 :: 1.50 HB3 :: 1.90 HG :: 1.84 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 HD21 :: 0.95 HD22 :: 0.95 HD23 :: 0.95 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.21 Ave N Shift Values>> N :: 121.86(3.9) 1.R126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.38 K 0.14 M 0.01 Q 0.01 HN Overlap>> 1.D40 1.D40 C Shift Assignments>> C :: 177.97 CA :: 58.77 CB :: 30.67 CG :: 27.67 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 :: 8.90 HA :: 4.00 HB2 :: 1.83 HB3 :: 1.98 HG2 :: 1.74 HG3 :: 1.74 HD2 :: 3.10 HD3 :: 3.23 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 :: 120.31 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.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.15 R 0.13 H 0.12 Q 0.1 K 0.05 M 0.05 I 0.02 V 0.02 C Shift Assignments>> C :: 177.97 CA :: 58.37 CB :: 30.27 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 :: 8.15 HA :: 4.16 HB2 :: 2.02 HB3 :: 2.02 HG2 :: 1.47 HG3 :: 1.61 HD2 :: 1.70 HD3 :: 1.70 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 :: 123.51 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.87 CA :: 61.67 CB :: 60.97 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 :: 4.33 HB2 :: 3.66 HB3 :: 4.10 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.01 Ave N Shift Values>> N :: 116.28(3.52) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.19 K 0.18 L 0.16 I 0.07 Q 0.06 W 0.05 H 0.03 E 0.02 C Shift Assignments>> C :: 175.67 CA :: 57.77 CB :: 26.07 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.47 HA :: 3.90 HB2 :: 2.00 HB3 :: 2.20 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 :: 126.21 Ave N Shift Values>> N :: 120.67(3.48) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.4 C 0.01 C Shift Assignments>> C :: 179.17 CA :: 53.37 CB :: 16.07 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.94 HA :: 3.84 HB1 :: 1.48 HB2 :: 1.48 HB3 :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.11 Ave N Shift Values>> N :: 123.23(3.54) 1.Q131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.21 C 0.15 Q 0.09 K 0.09 W 0.06 H 0.05 I 0.05 E 0.03 C Shift Assignments>> C :: 175.57 CA :: 57.07 CB :: 26.57 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 :: 7.45 HA :: 4.00 HB2 :: 1.95 HB3 :: 2.20 HG2 :: 2.42 HG3 :: 2.42 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 :: 119.41 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.42 I 0.01 C 0.01 HN Overlap>> 1.A102 1.A102 C Shift Assignments>> C :: 177.87 CA :: 54.07 CB :: 17.07 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.85 HA :: 3.96 HB1 :: 1.75 HB2 :: 1.75 HB3 :: 1.75 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.41 Ave N Shift Values>> N :: 123.23(3.54) 1.K133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.81 I 0.11 E 0.02 K 0.02 M 0.01 C Shift Assignments>> C :: 178.97 CA :: 58.07 CB :: 30.87 CE :: 39.57 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 :: 8.17 HA :: 3.41 HB2 :: 0.83(S) HB3 :: 1.25 HG2 :: 0.10(S) HG3 :: 0.45 HD2 :: 0.83(S) HD3 :: 0.97 HE2 :: 2.03(S) HE3 :: 2.13(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.14 R 0.14 H 0.13 Q 0.1 M 0.06 K 0.06 V 0.01 I 0.01 HN Overlap>> 1.I92 1.I92 C Shift Assignments>> C :: 176.87 CA :: 57.67 CB :: 30.57 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 :: 7.77 HA :: 3.97 HB2 :: 1.95 HB3 :: 1.95 HG2 :: 1.47 HG3 :: 1.51 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 :: 123.51 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.15 H 0.13 C 0.12 W 0.1 R 0.1 E 0.08 L 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 172.87 CA :: 54.97 CB :: 28.47 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 :: 7.59 HA :: 4.06 HB2 :: 2.03 HB3 :: 2.14 HG2 :: 2.27 HG3 :: 2.51 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 :: 117.71 Ave N Shift Values>> N :: 120.67(3.48) 1.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 M 0.14 C 0.12 W 0.11 E 0.09 Q 0.09 K 0.09 C Shift Assignments>> C :: 173.37 CA :: 55.07 CB :: 31.07 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 :: 7.81 HA :: 3.54 HB2 :: 1.82 HB3 :: 2.06 HG2 :: 1.40 HG3 :: 1.40 HD2 :: 1.76 HD3 :: 1.76 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 :: 118.11 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.31 C 0.14 G 0.04 HN Overlap>> 1.K110 1.T22 1.K110 1.T22 C Shift Assignments>> C :: 176.77 CA :: 53.37 CB :: 42.57 CD1 :: 21.47 CD2 :: 23.87 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 :: 7.60 HA :: 4.19 HB2 :: 1.39 HB3 :: 1.52 HG :: 1.66 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 1.00 HD22 :: 1.00 HD23 :: 1.00 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 :: 118.61 Ave N Shift Values>> N :: 121.86(3.9) 1.N138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.27 C 0.2 E 0.14 Y 0.12 F 0.09 M 0.06 D 0.04 I 0.01 K 0.01 L 0.01 C Shift Assignments>> C :: 174.57 CA :: 54.77 CB :: 37.27 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 :: 9.00 HA :: 3.86 HB2 :: 1.53(S) HB3 :: 2.77 HD21 :: 8.13 HD22 :: 7.09 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 :: 120.21 ND2 :: 116.01 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 I 0.06 HN Overlap>> 1.I15 1.L36 1.I15 1.L36 C Shift Assignments>> C :: 174.87 CA :: 64.07 CB :: 35.67 CG2 :: 13.57 CD1 :: 11.77 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 :: 8.34 HA :: 3.32 HB :: 1.05 HG12 :: 0.50 HG13 :: 0.50 HG21 :: 0.12 HG22 :: 0.12 HG23 :: 0.12 HD11 :: 0.06 HD12 :: 0.06 HD13 :: 0.06 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 :: 126.01 Ave N Shift Values>> N :: 121.46(4.28) 1.W140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.66 C 0.33 C Shift Assignments>> C :: 174.47 CA :: 53.47 CB :: 28.47 CG :: 109.67 CD1 :: 126.37 CD2 :: 127.17 CE2 :: 138.37 CE3 :: 119.57 CZ2 :: 113.17 CZ3 :: 119.57 CH2 :: 122.37 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.77 HA :: 4.91 HB2 :: 2.83 HB3 :: 3.71 HD1 :: 7.00 HE3 :: 7.66 HZ2 :: 7.54 HZ3 :: 7.06 HH2 :: 7.12 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.01 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.47 CA :: 58.27 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 :: 8.04 HA :: 4.19 HB2 :: 3.81 HB3 :: 4.13 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 :: 117.31 Ave N Shift Values>> N :: 116.28(3.52) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.15 H 0.14 C 0.12 W 0.11 R 0.09 E 0.08 L 0.05 M 0.03 HN Overlap>> 1.L124 1.L124 C Shift Assignments>> C :: 174.47 CA :: 54.57 CB :: 28.67 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.89 HA :: 4.43 HB2 :: 1.97 HB3 :: 2.19 HG2 :: 2.38 HG3 :: 2.38 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 :: 122.61 Ave N Shift Values>> N :: 120.67(3.48) 1.D143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.26 L 0.08 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> C :: 174.27 CA :: 53.07 CB :: 39.57 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 :: 8.30 HA :: 4.64 HB2 :: 2.68 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 :: 122.51 Ave N Shift Values>> N :: 120.65(3.86) 1.N144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 173.47 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) 1.A145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.87 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.D146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.57 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 1.S147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 173.47 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.G148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 171.67 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.Q149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.CA1 Overall Status: Residue type CA not supported. 3.THP1 Overall Status: Residue type THP not supported. ########################################################################### Overall Results: #Consistent: 130 #Clerical: 0 #Suspicious: 17 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 135 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 1 C Shift Results: #Consistent: 538 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 H Shift Results: #Consistent: 968 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 0 N Shift Results: #Consistent: 134 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 Error Summary: 1.K9 HE2 = 1.82(S), Expected = 2.92, Std = 0.1900, ChiSquare = 7.0607e-09 1.K9 HE3 = 1.82(S), Expected = 2.91, Std = 0.2000, ChiSquare = 5.0370e-08 1.K28 HD2 = 0.83(S), Expected = 1.61, Std = 0.2200, ChiSquare = 3.9194e-04 1.K28 HD3 = 0.83(S), Expected = 1.60, Std = 0.2200, ChiSquare = 4.6526e-04 1.V39 N = 105.21(S), Expected = 121.14, Std = 4.5400, ChiSquare = 4.5012e-04 1.V74 HG11 = -0.14(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9090e-04 1.V74 HG12 = -0.14(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9090e-04 1.V74 HG13 = -0.14(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9090e-04 1.E75 HB3 = 2.91(S), Expected = 1.99, Std = 0.2300, ChiSquare = 6.3342e-05 1.D77 HB3 = 3.83(S), Expected = 2.66, Std = 0.2800, ChiSquare = 2.9335e-05 1.K78 H = 10.31(S), Expected = 8.19, Std = 0.6000, ChiSquare = 4.1035e-04 1.Q80 Typing: Mistyped 1.Q80 CG = 125.57(A), Expected = 33.76, Std = 1.1100, ChiSquare = 0.0000e+00 1.Q80 SRO Rule Break>> CA > CG : 1 1.K84 HG2 = 0.10(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.0363e-06 1.G88 HA2 = 2.68(S), Expected = 3.97, Std = 0.3700, ChiSquare = 4.8941e-04 1.M98 CG = 27.27(S), Expected = 32.01, Std = 1.2400, ChiSquare = 1.3206e-04 1.V99 N = 137.41(S), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3876e-04 1.N100 HD21 = 9.58(S), Expected = 7.35, Std = 0.4800, ChiSquare = 3.3871e-06 1.N100 ND2 = 121.31(S), Expected = 112.75, Std = 2.2300, ChiSquare = 1.2376e-04 1.E101 H = 6.15(S), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1996e-04 1.P117 Typing: Mistyped 1.P117 CD = 58.57(A), Expected = 50.32, Std = 0.9900, ChiSquare = 7.8597e-17 1.T120 H = 10.54(S), Expected = 8.24, Std = 0.6200, ChiSquare = 2.0752e-04 1.H121 HD2 = 4.32(S), Expected = 7.00, Std = 0.4300, ChiSquare = 4.5888e-10 1.K133 HB2 = 0.83(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.4470e-04 1.K133 HG2 = 0.10(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.0363e-06 1.K133 HD2 = 0.83(S), Expected = 1.61, Std = 0.2200, ChiSquare = 3.9194e-04 1.K133 HE2 = 2.03(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.8104e-06 1.K133 HE3 = 2.13(S), Expected = 2.91, Std = 0.2000, ChiSquare = 9.6193e-05 1.N138 HB2 = 1.53(S), Expected = 2.81, Std = 0.3100, ChiSquare = 3.6429e-05