Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.43 C 0.38 A 0.17 C Shift Assignments>> C :: 171.5 CA :: 55.1 CB :: 33.1 CG :: 30.6 CE :: 16.9 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.07 HB2 :: 2.22 HB3 :: 2.04 HG2 :: 2.47 HG3 :: 2.41 HE1 :: 2.04 HE2 :: 2.04 HE3 :: 2.04 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.21 G 0.01 M 0.01 C Shift Assignments>> CA :: 55.1 CB :: 34.6 CG :: 25.3 CD :: 28.9 CE :: 42.3 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.73 HA :: 4.89 HB2 :: 1.59 HB3 :: 1.24 HG2 :: 1.40 HG3 :: 1.33 HD2 :: 1.48 HD3 :: 1.34 HE2 :: 2.92 HE3 :: 2.84 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I3 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 173.4 CA :: 60.0 CB :: 39.0 CG1 :: 27.3 CG2 :: 17.8 CD1 :: 14.4 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.44 HA :: 3.89 HB :: 0.21(S) HG12 :: 1.13 HG13 :: 0.82 HG21 :: 0.56 HG22 :: 0.56 HG23 :: 0.56 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.0 Ave N Shift Values>> N :: 121.6(4.72) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.01 HN Overlap>> 1.T67 1.T67 C Shift Assignments>> C :: 173.4 CA :: 57.0 CB :: 65.5 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.16 HA :: 5.62 HB2 :: 3.72 HB3 :: 3.48 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 116.3(3.95) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.39 G 0.04 C Shift Assignments>> C :: 174.4 CA :: 60.0 CB :: 42.2 CG1 :: 25.4 CG2 :: 19.4 CD1 :: 14.8 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.10 HA :: 4.87 HB :: 2.28 HG12 :: 1.45 HG13 :: 1.32 HG21 :: 1.13 HG22 :: 1.13 HG23 :: 1.13 HD11 :: 1.03 HD12 :: 1.03 HD13 :: 1.03 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.4 Ave N Shift Values>> N :: 121.6(4.72) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.26 E 0.03 Q 0.02 C Shift Assignments>> C :: 175.3 CA :: 54.5 CB :: 34.5 CG :: 34.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.80 HA :: 5.59 HB2 :: 2.18 HB3 :: 2.07 HG2 :: 2.40 HG3 :: 2.40 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 120.68(3.68) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.23 C 0.15 M 0.12 K 0.05 C Shift Assignments>> C :: 174.9 CA :: 51.9 CB :: 22.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.00 HA :: 4.71 HB1 :: 1.33 HB2 :: 1.33 HB3 :: 1.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 123.23(3.7) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.34 C 0.25 HN Overlap>> 1.Q118 1.Q118 C Shift Assignments>> CA :: 55.5 CB :: 29.3 CD2 :: 119.9 CE1 :: 136.1 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.26 HA :: 5.06 HB2 :: 3.21 HB3 :: 3.01 HD2 :: 7.23 HE1 :: 7.36 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 176.6 CA :: 60.3 CB :: 40.1 CG1 :: 27.9 CG2 :: 18.7 CD1 :: 14.5 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.64 HA :: 4.30 HB :: 1.94 HG12 :: 1.68 HG13 :: 0.90 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 HD11 :: 0.90 HD12 :: 0.90 HD13 :: 0.90 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 121.6(4.72) 1.E10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.51 E 0.22 K 0.1 I 0.08 Q 0.05 C Shift Assignments>> C :: 174.8 CA :: 55.8 CB :: 27.1 CG :: 36.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.82(S) HA :: 4.93 HB2 :: 2.14 HB3 :: 1.84 HG2 :: 2.27 HG3 :: 2.16 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 135.8(S) Ave N Shift Values>> N :: 120.68(3.68) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 Q 0.15 E 0.09 N 0.01 C Shift Assignments>> C :: 173.7 CA :: 54.6 CB :: 33.7 CG :: 34.5 CD :: 179.6 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.23 HA :: 4.55 HB2 :: 1.69 HB3 :: 1.69 HG2 :: 2.49 HG3 :: 2.34 HE21 :: 7.05 HE22 :: 7.82 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.3 NE2 :: 113.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.13 I 0.04 K 0.03 Q 0.02 C Shift Assignments>> C :: 178.3 CA :: 56.7 CB :: 30.9 CG :: 36.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.00 HA :: 4.30 HB2 :: 2.38 HB3 :: 2.18 HG2 :: 2.43 HG3 :: 2.43 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.4 Ave N Shift Values>> N :: 120.68(3.68) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 176.4 CA :: 66.3 CB :: 38.3 CG1 :: 29.7 CG2 :: 15.7 CD1 :: 15.0 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.44 HA :: 4.13 HB :: 1.84 HG12 :: 1.50 HG13 :: 1.08 HG21 :: 0.95 HG22 :: 0.95 HG23 :: 0.95 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.8 Ave N Shift Values>> N :: 121.6(4.72) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.29 E 0.12 K 0.01 C Shift Assignments>> C :: 179.6 CA :: 61.2 CB :: 28.4 CG :: 37.4 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.82 HA :: 3.94 HB2 :: 2.12 HB3 :: 2.06 HG2 :: 2.31 HG3 :: 2.31 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 120.68(3.68) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 C 0.03 I 0.02 C Shift Assignments>> C :: 179.4 CA :: 54.8 CB :: 18.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.40 HA :: 4.32 HB1 :: 1.53 HB2 :: 1.53 HB3 :: 1.53 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.0 Ave N Shift Values>> N :: 123.23(3.7) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.4 CA :: 67.6 CB :: 31.6 CG1 :: 22.6 CG2 :: 24.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.91 HA :: 3.65 HB :: 2.31 HG11 :: 1.16 HG12 :: 1.16 HG13 :: 1.16 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 121.02(4.96) 1.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 C 0.38 C Shift Assignments>> C :: 178.1 CA :: 60.9 CB :: 28.5 CD1 :: 127.5 CZ2 :: 113.4 CH2 :: 124.2 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.85 HA :: 3.49 HB2 :: 3.13 HB3 :: 3.07 HD1 :: 7.14 HE1 :: 10.22 HZ2 :: 7.06 HH2 :: 7.04 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.6 NE1 :: 130.6 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 C 0.33 H 0.01 C Shift Assignments>> C :: 178.0 CA :: 61.2 CB :: 28.2 CD1 :: 127.3 CE3 :: 120.4 CZ2 :: 114.8 CZ3 :: 122.2 CH2 :: 124.5 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.99 HA :: 4.19 HB2 :: 3.50 HB3 :: 3.50 HD1 :: 7.36 HE1 :: 10.08 HE3 :: 7.73 HZ2 :: 7.39 HZ3 :: 7.10 HH2 :: 7.10 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.2 NE1 :: 129.6 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.41 C 0.04 L 0.02 V 0.01 I 0.01 C Shift Assignments>> C :: 178.6 CA :: 54.6 CB :: 19.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.30 HA :: 3.98 HB1 :: 1.71 HB2 :: 1.71 HB3 :: 1.71 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 123.23(3.7) 1.W20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.39 H 0.01 C Shift Assignments>> C :: 174.5 CA :: 59.1 CB :: 29.1 CD1 :: 126.6 CZ2 :: 113.6 CZ3 :: 121.4 CH2 :: 123.3 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.43 HA :: 3.79 HB2 :: 2.99 HB3 :: 2.67 HD1 :: 6.51 HE1 :: 8.93 HZ2 :: 7.18 HZ3 :: 5.77 HH2 :: 6.71 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.7 NE1 :: 124.8 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.26 L 0.24 K 0.12 C 0.1 R 0.08 N 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 174.4 CA :: 53.5 CB :: 42.0 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 6.57 HA :: 4.57 HB2 :: 2.38 HB3 :: 2.05 HD21 :: 5.15(S) HD22 :: 5.15(S) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 108.3 ND2 :: 105.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.26 D 0.19 G 0.14 C 0.13 R 0.13 K 0.04 N 0.04 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.8 CB :: 43.1 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.13 HA :: 4.73 HB2 :: 2.06 HB3 :: 1.73(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 120.73(4.2) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 177.6 CA :: 65.9 CB :: 32.8 CG :: 27.6 CD :: 51.2 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.92 HB2 :: 1.99 HB3 :: 2.20 HG2 :: 2.26 HG3 :: 1.81 HD2 :: 4.16 HD3 :: 3.86 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 C 0.16 L 0.1 D 0.09 K 0.09 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 178.5 CA :: 57.4 CB :: 40.4 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.97 HA :: 4.36 HB2 :: 2.88 HB3 :: 2.64 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 120.73(4.2) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.34 C 0.09 W 0.04 V 0.02 R 0.02 E 0.01 K 0.01 HN Overlap>> 1.Q116 1.Q116 C Shift Assignments>> C :: 176.3 CA :: 62.9 CB :: 28.1 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.90 HA :: 4.01 HB2 :: 3.43 HB3 :: 2.80 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 119.95(4.79) 1.I26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.8 CB :: 38.0 CG1 :: 28.8 CG2 :: 16.3 CD1 :: 14.3 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.40 HA :: 3.94 HB :: 1.07 HG12 :: 1.16 HG13 :: 0.19 HG21 :: -0.57(S) HG22 :: -0.57(S) HG23 :: -0.57(S) HD11 :: 0.19 HD12 :: 0.19 HD13 :: 0.19 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.4 Ave N Shift Values>> N :: 121.6(4.72) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.44 C 0.02 I 0.01 C Shift Assignments>> C :: 178.3 CA :: 54.1 CB :: 17.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.14 HA :: 3.60 HB1 :: 1.26 HB2 :: 1.26 HB3 :: 1.26 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 123.23(3.7) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.43 G 0.07 C Shift Assignments>> C :: 177.9 CA :: 56.9 CB :: 30.9 CG :: 27.2 CD :: 43.3 CZ :: 159.5 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.39 HA :: 4.22 HB2 :: 1.75 HB3 :: 1.65 HG2 :: 1.81 HG3 :: 1.69 HD2 :: 3.33 HD3 :: 3.20 HE :: 7.22 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.8 NE :: 85.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 W 0.29 C Shift Assignments>> C :: 173.7 CA :: 56.8 CB :: 31.2 CD1 :: 129.0 CE3 :: 122.2 CZ2 :: 115.5 CZ3 :: 119.9 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.30 HA :: 4.67 HB2 :: 3.36 HB3 :: 2.59 HD1 :: 6.32 HE1 :: 9.39 HE3 :: 6.35 HZ2 :: 6.87 HZ3 :: 7.18 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 114.1 NE1 :: 126.6 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N30 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 Q 0.37 E 0.17 N 0.01 C Shift Assignments>> C :: 173.7 CA :: 54.4 CG :: 180.2(A) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.76 HA :: 4.39 HB2 :: 2.38 HB3 :: 2.38 HD21 :: 6.88 HD22 :: 7.53 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.6 ND2 :: 112.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.18 L 0.13 C 0.07 C Shift Assignments>> C :: 176.3 CA :: 52.2 CB :: 21.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.06 HA :: 4.12 HB1 :: 1.31 HB2 :: 1.31 HB3 :: 1.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.6 Ave N Shift Values>> N :: 123.23(3.7) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> C :: 176.5 CA :: 52.8 CB :: 19.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.55 HA :: 3.98 HB1 :: 1.16 HB2 :: 1.16 HB3 :: 1.16 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.9 Ave N Shift Values>> N :: 123.23(3.7) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8 CA :: 56.9 CB :: 64.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.59 HA :: 4.58 HB2 :: 4.08 HB3 :: 3.86 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.7 Ave N Shift Values>> N :: 116.3(3.95) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9 CA :: 60.1 CB :: 63.2 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.77 HA :: 4.45 HB2 :: 4.07 HB3 :: 3.96 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 116.3(3.95) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.17 C 0.11 N 0.11 F 0.09 K 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 175.1 CA :: 54.5 CB :: 40.8 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.39 HA :: 4.69 HB2 :: 2.69 HB3 :: 2.69 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 120.73(4.2) 1.W36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.48 H 0.01 C Shift Assignments>> C :: 173.7 CA :: 57.1 CB :: 32.8 CD1 :: 126.4 CE3 :: 120.2 CZ2 :: 114.8 CZ3 :: 121.6 CH2 :: 124.1 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.02 HA :: 5.07 HB2 :: 3.29 HB3 :: 2.99 HD1 :: 7.11 HE1 :: 10.27 HE3 :: 7.21 HZ2 :: 7.43 HZ3 :: 6.67 HH2 :: 7.04 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.5 NE1 :: 130.5 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 H 0.37 W 0.16 C Shift Assignments>> CA :: 54.2 CB :: 32.4 CD2 :: 118.5 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.16 HA :: 4.94 HB2 :: 3.28 HB3 :: 3.28 HD2 :: 7.10 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.2 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.8 CA :: 62.7 CB :: 69.6 CG2 :: 22.1 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.77 HA :: 5.12 HB :: 3.91 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 115.7(5.05) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.07 C Shift Assignments>> C :: 175.0 CA :: 61.6 CB :: 68.8 CG2 :: 21.5 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.84 HA :: 4.20 HB :: 4.23 HG21 :: 0.73 HG22 :: 0.73 HG23 :: 0.73 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.3 Ave N Shift Values>> N :: 115.7(5.05) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 171.7 CA :: 45.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.47 HA2 :: 4.06 HA3 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.4 Ave N Shift Values>> N :: 109.91(4.29) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.2 CA :: 58.5 CB :: 65.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.25 HA :: 5.40 HB2 :: 3.48 HB3 :: 3.42 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.6 Ave N Shift Values>> N :: 116.3(3.95) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.33 R 0.14 G 0.04 C Shift Assignments>> C :: 174.6 CA :: 55.3 CB :: 33.0 CG :: 30.2 CD :: 42.9 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.29 HA :: 4.56 HB2 :: 1.73 HB3 :: 1.68 HG2 :: 1.80 HG3 :: 1.72 HD2 :: 3.14 HD3 :: 3.14 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.4 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 C 0.48 I 0.01 C Shift Assignments>> C :: 173.5 CA :: 62.8 CB :: 36.9 CG1 :: 22.1 CG2 :: 21.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.86 HA :: 4.20 HB :: 2.01 HG11 :: 1.09 HG12 :: 1.09 HG13 :: 1.09 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.0 Ave N Shift Values>> N :: 121.02(4.96) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.26 L 0.12 C 0.11 F 0.05 Y 0.05 K 0.03 C Shift Assignments>> C :: 174.8 CA :: 52.7 CB :: 40.5 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.95 HA :: 5.02 HB2 :: 3.27 HB3 :: 2.70 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.0 Ave N Shift Values>> N :: 120.73(4.2) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.33 A 0.06 R 0.02 HN Overlap>> 1.H144 1.H144 C Shift Assignments>> C :: 174.0 CA :: 54.1 CB :: 40.8 CG :: 26.9 CD1 :: 23.0 CD2 :: 26.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.23 HA :: 3.94 HB2 :: 2.02 HB3 :: 0.90 HG :: 1.33 HD11 :: -0.04 HD12 :: -0.04 HD13 :: -0.04 HD21 :: 0.75 HD22 :: 0.75 HD23 :: 0.75 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.3 Ave N Shift Values>> N :: 121.98(4.07) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.2 I 0.02 A 0.01 HN Overlap>> 1.D84 1.D84 C Shift Assignments>> C :: 175.4 CA :: 59.3 CB :: 35.9 CG1 :: 21.3 CG2 :: 19.0 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.70 HA :: 4.47 HB :: 2.18 HG11 :: 0.86 HG12 :: 0.86 HG13 :: 0.86 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.8 Ave N Shift Values>> N :: 121.02(4.96) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.V73 1.V73 1.E104 1.E104 C Shift Assignments>> CA :: 67.0 CB :: 30.8 CG1 :: 21.5 CG2 :: 23.8 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.88 HA :: 3.44 HB :: 2.04 HG11 :: 0.99 HG12 :: 0.99 HG13 :: 0.99 HG21 :: 1.10 HG22 :: 1.10 HG23 :: 1.10 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.5 Ave N Shift Values>> N :: 121.02(4.96) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 HN Overlap>> 1.V82 1.V82 C Shift Assignments>> C :: 174.2 CA :: 45.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.10 HA2 :: 4.46 HA3 :: 3.64 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.0 Ave N Shift Values>> N :: 109.91(4.29) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.1 CA :: 44.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.17 HA2 :: 4.47 HA3 :: 4.31 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.9 Ave N Shift Values>> N :: 109.91(4.29) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.42 G 0.02 C Shift Assignments>> C :: 177.4 CA :: 53.7 CB :: 32.9 CG :: 26.8 CD :: 42.2 CZ :: 159.8 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.77 HA :: 5.26 HB2 :: 1.70 HB3 :: 1.62 HG2 :: 1.66 HG3 :: 1.59 HD2 :: 3.14 HD3 :: 2.98 HE :: 6.85 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.2 NE :: 82.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 C 0.29 F 0.29 G 0.07 C Shift Assignments>> C :: 174.2 CA :: 54.6 CB :: 42.8 CD1 :: 132.4 CD2 :: 132.4 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.52 HA :: 5.32 HB2 :: 2.75 HB3 :: 2.69 HD1 :: 5.76 HD2 :: 5.76 HE1 :: 6.98 HE2 :: 6.98 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.3 Ave N Shift Values>> N :: 120.69(4.18) 1.C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 Q 0.12 W 0.12 R 0.12 C 0.12 E 0.11 H 0.1 I 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 172.1 CA :: 58.2 CB :: 28.4 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.71 HA :: 4.45 HB2 :: 2.52 HB3 :: 2.52 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 119.95(4.79) 1.H53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 H 0.39 W 0.14 C Shift Assignments>> C :: 174.9 CA :: 53.6 CB :: 32.7 CD2 :: 117.9 CE1 :: 138.5 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.16 HA :: 5.40 HB2 :: 2.99 HB3 :: 2.69 HD2 :: 6.54 HE1 :: 7.06 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 129.7 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.32 C 0.28 C Shift Assignments>> C :: 172.8 CA :: 55.6 CB :: 28.1 CD2 :: 121.1 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.93 HA :: 5.05 HB2 :: 3.11 HB3 :: 3.06 HD2 :: 7.00 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.35 A 0.14 C Shift Assignments>> C :: 174.3 CA :: 54.5 CB :: 33.3 CG :: 31.6 CE :: 16.2 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.59 HA :: 4.88 HG2 :: 2.25 HG3 :: 2.18 HE1 :: 1.56 HE2 :: 1.56 HE3 :: 1.56 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.2 Ave N Shift Values>> N :: 120.1(3.88) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.18 A 0.18 M 0.09 K 0.06 C Shift Assignments>> C :: 175.7 CA :: 51.3 CB :: 23.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.04 HA :: 4.59 HB1 :: 1.21 HB2 :: 1.21 HB3 :: 1.21 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.9 Ave N Shift Values>> N :: 123.23(3.7) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.02 C Shift Assignments>> C :: 180.1 CA :: 51.2 CB :: 19.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.37 HA :: 3.36 HB1 :: 0.92 HB2 :: 0.92 HB3 :: 0.92 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 123.23(3.7) 1.K58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 K 0.37 R 0.22 M 0.01 HN Overlap>> 1.R78 1.Q92 1.R78 1.Q92 C Shift Assignments>> C :: 176.8 CA :: 59.5 CB :: 32.2 CG :: 26.0 CD :: 29.4 CE :: 41.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.66 HA :: 3.56 HB2 :: 1.62 HB3 :: 1.49 HG2 :: 0.80 HG3 :: 0.39(S) HD2 :: 1.51 HD3 :: 1.45 HE2 :: 2.69 HE3 :: 2.69 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.9 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.27 C 0.13 L 0.07 Y 0.07 F 0.07 K 0.01 C Shift Assignments>> C :: 177.6 CA :: 53.3 CB :: 39.7 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.05 HA :: 4.43 HB2 :: 3.02 HB3 :: 2.53 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.9 Ave N Shift Values>> N :: 120.73(4.2) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 175.5 CA :: 45.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.99 HA2 :: 4.12 HA3 :: 3.74 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.4 Ave N Shift Values>> N :: 109.91(4.29) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.8 CA :: 60.2 CB :: 63.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.18 HA :: 4.08 HB2 :: 3.91 HB3 :: 3.77 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.0 Ave N Shift Values>> N :: 116.3(3.95) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.36 L 0.31 M 0.15 C 0.12 K 0.02 C Shift Assignments>> C :: 176.5 CA :: 52.1 CB :: 22.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.29 HA :: 4.61 HB1 :: 1.56 HB2 :: 1.56 HB3 :: 1.56 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.6 Ave N Shift Values>> N :: 123.23(3.7) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 171.8 CA :: 46.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.41 HA2 :: 4.58 HA3 :: 4.12 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.9 Ave N Shift Values>> N :: 109.91(4.29) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.36 C 0.24 C Shift Assignments>> C :: 172.1 CA :: 56.8 CB :: 40.8 CD1 :: 132.2 CD2 :: 132.2 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.74 HA :: 4.88 HB2 :: 3.28 HB3 :: 3.07 HD1 :: 7.00 HD2 :: 7.00 HE1 :: 6.70 HE2 :: 6.70 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 120.69(4.18) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.12 R 0.11 C 0.1 N 0.05 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.6 CA :: 53.5 CB :: 42.3 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.65 HA :: 5.33 HB2 :: 2.54 HB3 :: 2.42 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 120.73(4.2) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.32 C 0.26 C Shift Assignments>> C :: 173.9 CA :: 55.7 CB :: 40.1 CD1 :: 131.3 CD2 :: 131.3 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.09 HA :: 5.15 HB2 :: 3.36 HB3 :: 3.10 HD1 :: 7.31 HD2 :: 7.31 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 128.2 Ave N Shift Values>> N :: 120.69(4.18) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 C 0.28 A 0.05 HN Overlap>> 1.S4 1.S4 C Shift Assignments>> C :: 171.3 CA :: 58.6 CB :: 71.8 CG2 :: 20.3 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.15 HA :: 4.31 HB :: 3.82 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 115.7(5.05) 1.G68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 170.1 CA :: 46.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.74(S) HA2 :: 3.81 HA3 :: 3.36 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.2 Ave N Shift Values>> N :: 109.91(4.29) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 C Shift Assignments>> C :: 175.0 CA :: 60.7 CB :: 71.4 CG2 :: 20.8 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.21 HA :: 4.99 HB :: 3.80 HG21 :: 1.13 HG22 :: 1.13 HG23 :: 1.13 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.9 Ave N Shift Values>> N :: 115.7(5.05) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 C Shift Assignments>> C :: 177.8 CA :: 60.6 CB :: 39.4 CD1 :: 132.7 CD2 :: 132.7 CE1 :: 131.0 CE2 :: 131.0 CZ :: 129.8 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.41 HA :: 5.13 HB2 :: 3.64 HB3 :: 3.05 HD1 :: 7.66 HD2 :: 7.66 HE1 :: 6.99 HE2 :: 6.99 HZ :: 6.91 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.5 Ave N Shift Values>> N :: 120.69(4.18) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 175.2 CA :: 61.7 CB :: 69.7 CG2 :: 22.8 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.73 HA :: 4.63 HB :: 4.37 HG21 :: 1.30 HG22 :: 1.30 HG23 :: 1.30 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.9 Ave N Shift Values>> N :: 115.7(5.05) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.33 G 0.12 C Shift Assignments>> C :: 174.6 CA :: 57.4 CB :: 33.7 CG :: 27.6 CD :: 43.6 CZ :: 159.5 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.87 HA :: 4.55 HB2 :: 1.95 HB3 :: 1.72 HG2 :: 1.71 HG3 :: 1.36 HD2 :: 3.15 HD3 :: 3.02 HE :: 7.29 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.9 NE :: 83.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.21 HN Overlap>> 1.V47 1.V47 C Shift Assignments>> C :: 173.8 CA :: 63.2 CB :: 34.4 CG1 :: 21.4 CG2 :: 20.2 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.81 HA :: 4.45 HB :: 2.14 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 0.59 HG22 :: 0.59 HG23 :: 0.59 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.5 Ave N Shift Values>> N :: 121.02(4.96) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.2 Q 0.15 M 0.14 K 0.12 C Shift Assignments>> C :: 173.7 CA :: 53.1 CB :: 30.0 CG :: 35.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.20 HA :: 4.64 HB2 :: 1.99 HB3 :: 1.91 HG2 :: 2.25 HG3 :: 2.04 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.5 Ave N Shift Values>> N :: 120.68(3.68) 1.A75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> CA :: 50.3 CB :: 17.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.49 HA :: 2.10(S) HB1 :: 0.62 HB2 :: 0.62 HB3 :: 0.62 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.6 Ave N Shift Values>> N :: 123.23(3.7) 1.P76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.74 P 0.15 G 0.08 A 0.02 C Shift Assignments>> C :: 171.4 CA :: 64.1 CB :: 31.2 CG :: 23.7 CD :: 48.8 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 2.64(S) HB2 :: 1.29 HB3 :: 2.24 HG2 :: 1.77 HG3 :: 1.38 HD2 :: 3.26 HD3 :: 3.26 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 177.0 CA :: 62.9 CB :: 71.4 CG2 :: 22.2 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.80 HA :: 4.98 HB :: 4.45 HG21 :: 1.14 HG22 :: 1.14 HG23 :: 1.14 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.4 Ave N Shift Values>> N :: 115.7(5.05) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.22 R 0.15 HN Overlap>> 1.K58 1.K58 1.Q92 1.Q92 C Shift Assignments>> C :: 172.9 CA :: 56.5 CB :: 34.8 CG :: 27.4 CD :: 44.0 CZ :: 159.6 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.67 HA :: 5.55 HB2 :: 1.90 HB3 :: 1.84 HG2 :: 1.68 HG3 :: 1.50 HD2 :: 3.15 HD3 :: 3.02 HE :: 8.46 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.9 NE :: 83.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 G 0.15 L 0.02 C Shift Assignments>> C :: 174.9 CA :: 53.9 CB :: 47.9 CD1 :: 25.6 CD2 :: 27.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.30 HA :: 5.27 HB2 :: 2.08 HB3 :: 1.85 HD11 :: 1.14 HD12 :: 1.14 HD13 :: 1.14 HD21 :: 1.08 HD22 :: 1.08 HD23 :: 1.08 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.9 Ave N Shift Values>> N :: 121.98(4.07) 1.S80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1 CA :: 57.1 CB :: 65.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.50 HA :: 5.94(S) HB2 :: 4.23 HB3 :: 3.75 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 116.3(3.95) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 F 0.36 Y 0.14 G 0.07 C Shift Assignments>> CA :: 56.2 CB :: 42.8 CD1 :: 132.6 CD2 :: 132.6 CE1 :: 132.0 CE2 :: 132.0 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.34 HA :: 5.66 HB2 :: 3.37 HB3 :: 2.86 HD1 :: 6.93 HD2 :: 6.93 HE1 :: 7.47 HE2 :: 7.47 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 120.69(4.18) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 HN Overlap>> 1.G48 1.G48 C Shift Assignments>> C :: 177.0 CA :: 59.2 CB :: 34.9 CG1 :: 20.0 CG2 :: 21.3 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.10 HA :: 5.24 HB :: 2.01 HG11 :: 1.04 HG12 :: 1.04 HG13 :: 1.04 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 121.02(4.96) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.43 A 0.09 I 0.01 V 0.01 C Shift Assignments>> C :: 177.9 CA :: 56.4 CB :: 33.8 CE :: 17.3 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.69 HA :: 4.90 HB2 :: 2.97 HB3 :: 2.85 HG2 :: 2.72 HG3 :: 2.60 HE1 :: 2.24 HE2 :: 2.24 HE3 :: 2.24 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 128.3 Ave N Shift Values>> N :: 120.1(3.88) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 C 0.19 D 0.08 I 0.07 L 0.06 N 0.03 K 0.02 E 0.01 HN Overlap>> 1.V46 1.V46 C Shift Assignments>> C :: 175.9 CA :: 57.3 CB :: 39.6 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.68 HA :: 4.48 HB2 :: 2.80 HB3 :: 2.58 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 120.73(4.2) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.26 C 0.12 L 0.11 F 0.07 Y 0.07 K 0.03 C Shift Assignments>> C :: 177.3 CA :: 53.3 CB :: 40.2 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.84 HA :: 4.60 HB2 :: 3.18 HB3 :: 2.66 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 120.73(4.2) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 174.7 CA :: 45.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.27 HA2 :: 4.36 HA3 :: 3.60 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.6 Ave N Shift Values>> N :: 109.91(4.29) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.34 G 0.2 HN Overlap>> 1.L137 1.L137 C Shift Assignments>> C :: 175.3 CA :: 58.1 CB :: 31.9 CG :: 28.0 CD :: 44.2 CZ :: 159.9 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.95 HA :: 4.35 HB2 :: 2.48 HB3 :: 1.63 HG2 :: 1.83 HG3 :: 1.51 HD2 :: 3.32 HD3 :: 3.18 HE :: 8.80 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.5 NE :: 86.6 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.27 M 0.17 I 0.01 C Shift Assignments>> C :: 176.2 CA :: 55.8 CB :: 32.3 CG :: 37.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.46 HA :: 4.88 HB2 :: 1.99 HB3 :: 1.87 HG2 :: 2.41 HG3 :: 2.13 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.9 Ave N Shift Values>> N :: 120.68(3.68) 1.V89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.62 C 0.37 HN Overlap>> 1.W121 1.W121 C Shift Assignments>> C :: 173.6 CA :: 61.4 CB :: 33.9 CG1 :: 22.3 CG2 :: 22.5 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.59 HA :: 4.59 HB :: 0.08(S) HG11 :: 0.79 HG12 :: 0.79 HG13 :: 0.79 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.3 Ave N Shift Values>> N :: 121.02(4.96) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.12 C 0.09 R 0.02 D 0.01 C Shift Assignments>> C :: 174.0 CA :: 53.4 CB :: 45.4 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.97 HA :: 5.31 HB2 :: 2.55 HB3 :: 2.46 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.4 Ave N Shift Values>> N :: 120.73(4.2) 1.V91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.0 CA :: 61.5 CB :: 33.1 CG1 :: 22.3 CG2 :: 20.9 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.74 HA :: 4.54 HB :: 1.96 HG11 :: -0.40(S) HG12 :: -0.40(S) HG13 :: -0.40(S) HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.1 Ave N Shift Values>> N :: 121.02(4.96) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Q 0.29 E 0.14 HN Overlap>> 1.K58 1.R78 1.K58 1.R78 C Shift Assignments>> C :: 173.4 CA :: 53.9 CB :: 32.4 CG :: 34.3 CD :: 180.0 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.64 HA :: 5.08 HB2 :: 1.92 HB3 :: 1.57 HG2 :: 2.18 HG3 :: 2.08 HE21 :: 6.61 HE22 :: 7.48 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.8 NE2 :: 110.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 175.5 CA :: 55.4 CB :: 41.6 CD1 :: 132.1 CD2 :: 132.1 CE1 :: 130.0 CE2 :: 130.0 CZ :: 129.1 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.20 HA :: 5.22 HB2 :: 3.72 HB3 :: 2.68 HD1 :: 6.91 HD2 :: 6.91 HE1 :: 6.48 HE2 :: 6.48 HZ :: 5.49 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.2 Ave N Shift Values>> N :: 120.69(4.18) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.22 C 0.2 M 0.09 K 0.05 C Shift Assignments>> C :: 176.6 CA :: 50.9 CB :: 23.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.09 HA :: 4.99 HB1 :: 1.62 HB2 :: 1.62 HB3 :: 1.62 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 123.23(3.7) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.1 CA :: 60.2 CB :: 63.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.04 HA :: 4.85 HB2 :: 4.05 HB3 :: 3.87 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 116.3(3.95) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.26 K 0.24 M 0.11 R 0.06 E 0.04 C Shift Assignments>> CA :: 53.5 CB :: 29.4 CG :: 33.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.89 HA :: 5.04 HB2 :: 2.16 HB3 :: 2.03 HG2 :: 2.17 HG3 :: 1.88 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.7 Ave N Shift Values>> N :: 120.68(3.68) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.1 CA :: 65.5 CB :: 30.9 CG :: 28.0 CD :: 50.3 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.31 HB2 :: 1.87 HB3 :: 2.30 HG2 :: 2.14 HG3 :: 1.95 HD2 :: 3.84 HD3 :: 3.62 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.8 CA :: 45.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.74 HA2 :: 4.08 HA3 :: 3.85 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.7 Ave N Shift Values>> N :: 109.91(4.29) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.26 P 0.07 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 172.6 CA :: 47.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.21 HA2 :: 5.00 HA3 :: 3.71 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.7 Ave N Shift Values>> N :: 109.91(4.29) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 171.5 CA :: 63.0 CB :: 73.0 CG2 :: 21.9 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.63 HA :: 5.18 HB :: 3.80 HG21 :: 1.29 HG22 :: 1.29 HG23 :: 1.29 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.9 Ave N Shift Values>> N :: 115.7(5.05) 1.W101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.48 H 0.01 C Shift Assignments>> C :: 174.9 CA :: 54.4 CB :: 30.2 CD1 :: 123.7 CE3 :: 120.5 CZ2 :: 114.7 CZ3 :: 121.9 CH2 :: 125.0 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 10.00 HA :: 5.14 HB2 :: 3.37 HB3 :: 3.06 HD1 :: 6.25 HE1 :: 10.34 HE3 :: 7.45 HZ2 :: 7.34 HZ3 :: 7.00 HH2 :: 7.08 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 130.6 NE1 :: 129.5 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 173.5 CA :: 60.5 CB :: 34.0 CG1 :: 20.5 CG2 :: 22.4 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.90 HA :: 4.55 HB :: 1.65 HG11 :: 0.12 HG12 :: 0.12 HG13 :: 0.12 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.9 Ave N Shift Values>> N :: 121.02(4.96) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 Q 0.17 E 0.09 C Shift Assignments>> C :: 174.1 CA :: 54.0 CB :: 33.5 CG :: 34.3 CD :: 179.9 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.28 HA :: 4.78 HB2 :: 1.56 HB3 :: 1.09 HG2 :: 1.61 HG3 :: 1.41 HE21 :: 6.21 HE22 :: 6.59 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.8 NE2 :: 110.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.34 Q 0.12 E 0.06 K 0.01 HN Overlap>> 1.V47 1.V47 C Shift Assignments>> C :: 173.7 CA :: 54.1 CB :: 32.5 CG :: 34.0 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.88 HA :: 5.33 HB2 :: 2.09 HB3 :: 1.62 HG2 :: 2.16 HG3 :: 2.09 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.4 Ave N Shift Values>> N :: 120.68(3.68) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.2 CA :: 60.8 CB :: 71.3 CG2 :: 21.9 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.15 HA :: 5.46 HB :: 3.82 HG21 :: 1.02 HG22 :: 1.02 HG23 :: 1.02 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.0 Ave N Shift Values>> N :: 115.7(5.05) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 C 0.28 Y 0.26 F 0.12 HN Overlap>> 1.F128 1.F128 C Shift Assignments>> C :: 173.8 CA :: 54.0 CB :: 43.7 CD1 :: 132.2 CD2 :: 132.2 CE1 :: 128.3 CE2 :: 128.3 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.91 HA :: 5.56 HB2 :: 2.40 HB3 :: 2.40 HD1 :: 6.25 HD2 :: 6.25 HE1 :: 6.43 HE2 :: 6.43 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 120.69(4.18) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.18 K 0.16 R 0.13 C 0.1 F 0.06 Y 0.05 N 0.03 C Shift Assignments>> C :: 175.5 CA :: 54.7 CB :: 42.2 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.68 HA :: 4.87 HB2 :: 2.73 HB3 :: 2.41 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.73(4.2) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.16 C 0.02 C Shift Assignments>> C :: 179.0 CA :: 52.0 CB :: 19.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.65 HA :: 4.48 HB1 :: 1.37 HB2 :: 1.37 HB3 :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.9 Ave N Shift Values>> N :: 123.23(3.7) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.24 K 0.22 M 0.12 E 0.09 R 0.03 C Shift Assignments>> C :: 178.1 CA :: 54.6 CB :: 29.7 CG :: 33.8 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.46 HA :: 4.94 HB2 :: 2.56 HB3 :: 1.99 HG2 :: 2.55 HG3 :: 2.48 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 120.68(3.68) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.9 CA :: 62.7 CB :: 69.1 CG2 :: 21.6 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.48 HA :: 4.52 HB :: 4.54 HG21 :: 1.24 HG22 :: 1.24 HG23 :: 1.24 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.5 Ave N Shift Values>> N :: 115.7(5.05) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.8 CA :: 60.0 CB :: 63.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.72 HA :: 4.36 HB2 :: 3.71 HB3 :: 3.63 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 116.3(3.95) 1.H112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.15 H 0.13 R 0.13 K 0.11 W 0.1 E 0.08 Q 0.07 C Shift Assignments>> C :: 175.0 CA :: 55.1 CB :: 31.5 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.09 HA :: 4.98 HB2 :: 3.49 HB3 :: 2.78 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.12 C Shift Assignments>> CA :: 61.0 CB :: 68.3 CG2 :: 22.1 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.02 HA :: 4.63 HB :: 4.74 HG21 :: 1.44 HG22 :: 1.44 HG23 :: 1.44 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.4 Ave N Shift Values>> N :: 115.7(5.05) 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.28 C Shift Assignments>> C :: 178.2 CA :: 66.2 CB :: 31.8 CG :: 28.5 CD :: 50.7 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.16 HB2 :: 2.07 HB3 :: 2.26 HG2 :: 2.26 HG3 :: 1.95 HD2 :: 4.05 HD3 :: 3.98 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 181.2 CA :: 55.4 CB :: 18.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.25 HA :: 4.19 HB1 :: 1.47 HB2 :: 1.47 HB3 :: 1.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 123.23(3.7) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.36 E 0.23 HN Overlap>> 1.C25 1.C25 C Shift Assignments>> C :: 179.8 CA :: 58.9 CB :: 28.6 CG :: 34.3 CD :: 180.2 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.98 HA :: 4.10 HB2 :: 2.39 HB3 :: 2.09 HG2 :: 2.54 HG3 :: 2.46 HE21 :: 6.88 HE22 :: 7.53 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.8 NE2 :: 111.4 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.43 Q 0.12 C Shift Assignments>> C :: 177.7 CA :: 59.1 CB :: 30.2 CG :: 35.8 CD :: 180.3 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.97 HA :: 4.38 HB2 :: 2.38 HB3 :: 2.26 HG2 :: 2.53 HG3 :: 2.53 HE21 :: 7.84 HE22 :: 6.40 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.3 NE2 :: 115.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Q 0.36 E 0.08 HN Overlap>> 1.H8 1.H8 C Shift Assignments>> C :: 177.0 CA :: 60.8 CB :: 28.6 CG :: 33.6 CD :: 179.0 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.18 HA :: 3.91 HB2 :: 2.24 HB3 :: 2.24 HG2 :: 2.50 HG3 :: 2.24 HE21 :: 6.88 HE22 :: 7.68 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.7 NE2 :: 111.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 HN Overlap>> 1.E133 1.E133 C Shift Assignments>> C :: 181.5 CA :: 55.0 CB :: 18.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.84 HA :: 4.34 HB1 :: 1.53 HB2 :: 1.53 HB3 :: 1.53 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 123.23(3.7) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.2 CA :: 47.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.15 HA2 :: 3.94 HA3 :: 3.87 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.9 Ave N Shift Values>> N :: 109.91(4.29) 1.W121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 C 0.46 H 0.06 HN Overlap>> 1.V89 1.V89 C Shift Assignments>> C :: 179.9 CA :: 61.4 CB :: 28.1 CD1 :: 127.9 CZ2 :: 113.3 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.61 HA :: 4.09 HB2 :: 3.10 HB3 :: 2.92 HD1 :: 7.40 HE1 :: 10.11 HZ2 :: 7.09 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.4 NE1 :: 130.3 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.36 E 0.19 C Shift Assignments>> C :: 177.5 CA :: 58.7 CB :: 29.6 CG :: 33.3 CD :: 180.7 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.18 HA :: 3.99 HB2 :: 2.60 HB3 :: 2.28 HG2 :: 2.62 HG3 :: 2.47 HE21 :: 6.95 HE22 :: 8.32 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.7 NE2 :: 114.7 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.8 CA :: 47.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.22 HA2 :: 4.05 HA3 :: 4.05 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.2 Ave N Shift Values>> N :: 109.91(4.29) 1.I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.4 CA :: 65.0 CB :: 38.0 CG1 :: 28.6 CG2 :: 18.3 CD1 :: 12.6 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.28 HA :: 3.93 HB :: 1.81 HG12 :: 1.52 HG13 :: 0.78 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 HD11 :: 0.41 HD12 :: 0.41 HD13 :: 0.41 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 121.6(4.72) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.39 R 0.04 C Shift Assignments>> C :: 178.6 CA :: 58.1 CB :: 41.5 CG :: 26.8 CD1 :: 23.2 CD2 :: 25.2 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.82 HA :: 4.22 HB2 :: 2.05 HB3 :: 1.67 HG :: 1.67 HD11 :: 0.99 HD12 :: 0.99 HD13 :: 0.99 HD21 :: 0.74 HD22 :: 0.74 HD23 :: 0.74 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 121.98(4.07) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.1 L 0.07 I 0.06 K 0.03 N 0.03 E 0.01 C Shift Assignments>> C :: 179.5 CA :: 57.2 CB :: 39.8 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.38 HA :: 4.50 HB2 :: 2.94 HB3 :: 2.72 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 120.73(4.2) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 N 0.3 D 0.26 C Shift Assignments>> C :: 178.5 CA :: 56.3 CB :: 38.9 CG :: 176.9 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.05 HA :: 4.75 HB2 :: 3.45 HB3 :: 3.35 HD21 :: 7.12 HD22 :: 8.22 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.2 ND2 :: 114.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.36 C 0.24 HN Overlap>> 1.F106 1.F106 C Shift Assignments>> C :: 175.9 CA :: 61.6 CB :: 37.3 CD1 :: 131.9 CD2 :: 131.9 CE1 :: 130.1 CE2 :: 130.1 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.86 HA :: 3.82 HB2 :: 3.22 HB3 :: 2.38 HD1 :: 5.66 HD2 :: 5.66 HE1 :: 6.77 HE2 :: 6.77 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.4 Ave N Shift Values>> N :: 120.69(4.18) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.26 K 0.26 G 0.05 M 0.02 C Shift Assignments>> C :: 176.6 CA :: 59.9 CB :: 33.0 CG :: 25.2 CD :: 30.1 CE :: 43.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.44 HA :: 3.48 HB2 :: 2.29 HB3 :: 1.58 HG2 :: 1.58 HG3 :: 1.09 HD2 :: 1.81 HD3 :: 1.71 HE2 :: 3.33 HE3 :: 3.12 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.4 G 0.11 C Shift Assignments>> C :: 179.2 CA :: 59.2 CB :: 30.6 CG :: 28.2 CD :: 43.6 CZ :: 159.5 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.83 HA :: 4.05 HB2 :: 2.04 HB3 :: 1.94 HG2 :: 1.92 HG3 :: 1.71 HD2 :: 3.39 HD3 :: 3.30 HE :: 7.39 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.6 NE :: 84.0 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.32 C Shift Assignments>> C :: 177.7 CA :: 61.6 CB :: 38.9 CD1 :: 133.4 CD2 :: 133.4 CE1 :: 118.4 CE2 :: 118.4 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.28 HA :: 4.12 HB2 :: 3.34 HB3 :: 3.04 HD1 :: 7.00 HD2 :: 7.00 HE1 :: 6.84 HE2 :: 6.84 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 120.79(4.69) 1.V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 178.1 CA :: 65.2 CB :: 31.6 CG1 :: 22.7 CG2 :: 23.5 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.50 HA :: 3.31 HB :: 1.52 HG11 :: 0.56 HG12 :: 0.56 HG13 :: 0.56 HG21 :: 0.53 HG22 :: 0.53 HG23 :: 0.53 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.5 Ave N Shift Values>> N :: 121.02(4.96) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.32 E 0.23 K 0.01 HN Overlap>> 1.A119 1.A119 C Shift Assignments>> C :: 177.5 CA :: 58.5 CB :: 29.0 CG :: 38.1 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.84 HA :: 3.92 HB2 :: 2.06 HB3 :: 1.98 HG2 :: 2.66 HG3 :: 2.07 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 120.68(3.68) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.24 C 0.02 C Shift Assignments>> C :: 178.6 CA :: 53.0 CB :: 19.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.36 HA :: 4.38 HB1 :: 1.43 HB2 :: 1.43 HB3 :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.9 Ave N Shift Values>> N :: 123.23(3.7) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.31 C 0.02 C Shift Assignments>> C :: 178.7 CA :: 53.5 CB :: 18.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.72 HA :: 4.11 HB1 :: 1.15 HB2 :: 1.15 HB3 :: 1.15 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 123.23(3.7) 1.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 175.0 CA :: 46.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.14 HA2 :: 3.90 HA3 :: 3.90 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.0 Ave N Shift Values>> N :: 109.91(4.29) 1.L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 R 0.08 A 0.01 G 0.01 HN Overlap>> 1.R87 1.R87 C Shift Assignments>> C :: 177.7 CA :: 55.6 CB :: 42.0 CG :: 26.9 CD1 :: 25.5 CD2 :: 23.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.98 HA :: 4.22 HB2 :: 1.68 HB3 :: 1.58 HG :: 1.66 HD11 :: 0.97 HD12 :: 0.97 HD13 :: 0.97 HD21 :: 0.90 HD22 :: 0.90 HD23 :: 0.90 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 121.98(4.07) 1.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.11 Q 0.07 M 0.07 I 0.06 C Shift Assignments>> C :: 176.5 CA :: 57.2 CB :: 29.8 CG :: 36.0 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.46 HA :: 4.12 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 2.22 HG3 :: 2.09 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.68(3.68) 1.H139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 R 0.13 E 0.12 W 0.12 C 0.11 K 0.11 M 0.06 I 0.01 C Shift Assignments>> CA :: 56.0 CB :: 29.8 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.14 HA :: 4.44 HB2 :: 3.03 HB3 :: 2.94 HD2 :: 6.95 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.16 Q 0.13 R 0.13 W 0.12 E 0.12 C 0.12 K 0.1 M 0.07 I 0.01 C Shift Assignments>> C :: 173.8 CA :: 55.7 CB :: 30.0 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.59 HB2 :: 3.10 HB3 :: 3.10 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.H144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 R 0.13 H 0.13 Q 0.12 C 0.12 K 0.09 M 0.06 I 0.02 V 0.01 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> CA :: 57.2 CB :: 30.1 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.18 HA :: 4.44 HB2 :: 3.18 HB3 :: 3.08 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.3 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 131 #Clerical: 0 #Suspicious: 12 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 141 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 144 #Suspicious: 0 C Shift Results: #Consistent: 591 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 899 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 157 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I3 HB = 0.21(S), Expected = 1.80, Std = 0.3100, ChiSquare = 2.9124e-07 1.E10 H = 10.82(S), Expected = 8.34, Std = 0.6100, ChiSquare = 4.7914e-05 1.E10 N = 135.8(S), Expected = 120.68, Std = 3.6800, ChiSquare = 3.9790e-05 1.N21 HD21 = 5.15(S), Expected = 7.27, Std = 0.5200, ChiSquare = 4.5636e-05 1.N21 HD22 = 5.15(S), Expected = 7.20, Std = 0.5200, ChiSquare = 8.0701e-05 1.D22 HB3 = 1.73(S), Expected = 2.70, Std = 0.2900, ChiSquare = 8.2334e-04 1.I26 HG21 = -0.57(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.3109e-06 1.I26 HG22 = -0.57(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.3109e-06 1.I26 HG23 = -0.57(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.3109e-06 1.N30 CG = 180.2(A), Expected = 176.61, Std = 1.3300, ChiSquare = 6.9496e-03 1.K58 HG3 = 0.39(S), Expected = 1.37, Std = 0.2900, ChiSquare = 7.2668e-04 1.G68 H = 5.74(S), Expected = 8.34, Std = 0.7400, ChiSquare = 4.4222e-04 1.A75 HA = 2.10(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.7059e-07 1.P76 HA = 2.64(S), Expected = 4.41, Std = 0.3600, ChiSquare = 8.8030e-07 1.S80 HA = 5.94(S), Expected = 4.51, Std = 0.4300, ChiSquare = 8.8234e-04 1.V89 HB = 0.08(S), Expected = 1.99, Std = 0.3300, ChiSquare = 7.1281e-09 1.V91 HG11 = -0.40(S), Expected = 0.84, Std = 0.2700, ChiSquare = 4.3777e-06 1.V91 HG12 = -0.40(S), Expected = 0.84, Std = 0.2700, ChiSquare = 4.3777e-06 1.V91 HG13 = -0.40(S), Expected = 0.84, Std = 0.2700, ChiSquare = 4.3777e-06