Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.26 Q 0.26 K 0.23 H 0.06 R 0.06 E 0.06 V 0.02 C Shift Assignments>> CA :: 55.9 CB :: 33.6 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) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.25 R 0.14 K 0.13 N 0.05 F 0.05 Y 0.03 G 0.01 C Shift Assignments>> CA :: 53.5 CB :: 42.4 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 :: 7.81 HA :: 4.67 HB2 :: 2.80 HB3 :: 3.13 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 :: 119.5 Ave N Shift Values>> N :: 120.73(4.2) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 R 0.16 H 0.13 I 0.13 Q 0.12 K 0.11 V 0.05 M 0.04 C Shift Assignments>> CA :: 59.3 CB :: 29.9 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 :: 8.56 HA :: 4.06 HB2 :: 2.22 HB3 :: 2.26 HG2 :: 2.50 HG3 :: 2.50 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 :: 115.9 Ave N Shift Values>> N :: 120.68(3.68) 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.32 I 0.22 L 0.03 D 0.02 K 0.01 E 0.01 C Shift Assignments>> CA :: 59.2 CB :: 39.6 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 :: 8.14 HA :: 4.07 HB2 :: 3.05 HB3 :: 3.32 HD1 :: 6.49 HD2 :: 6.49 HE1 :: 6.84 HE2 :: 6.84 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 :: 118.3 Ave N Shift Values>> N :: 120.69(4.18) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.T19 1.T19 C Shift Assignments>> CA :: 66.9 CB :: 32.1 CG1 :: 22.0 CG2 :: 24.8 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 :: 8.12 HA :: 3.23 HB :: 1.98 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 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 :: 114.4 Ave N Shift Values>> N :: 121.02(4.96) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 K 0.15 M 0.1 R 0.09 Q 0.08 E 0.07 H 0.05 P 0.05 I 0.03 HN Overlap>> 1.Y23 1.Y23 C Shift Assignments>> CA :: 60.1 CB :: 32.8 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 :: 8.50 HA :: 3.91 HB2 :: 1.78 HB3 :: 1.78 HG2 :: 1.35 HG3 :: 1.51 HD2 :: 1.64 HD3 :: 1.74 HE2 :: 2.88 HE3 :: 2.88 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 :: 116.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.08 HA2 :: 3.75 HA3 :: 3.80 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.7 Ave N Shift Values>> N :: 109.91(4.29) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 C Shift Assignments>> CA :: 58.6 CB :: 41.3 CG :: 26.0 CD1 :: 26.6 CD2 :: 23.0 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 :: 7.66 HA :: 3.95 HB2 :: 1.73 HB3 :: 1.23 HG :: 1.40 HD11 :: 0.13 HD12 :: 0.13 HD13 :: 0.13 HD21 :: 0.39 HD22 :: 0.39 HD23 :: 0.39 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 :: 119.6 Ave N Shift Values>> N :: 121.98(4.07) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.21 K 0.18 M 0.13 R 0.12 E 0.1 Q 0.08 H 0.08 I 0.03 P 0.01 C Shift Assignments>> CA :: 59.4 CB :: 32.5 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 :: 8.48 HA :: 4.36 HB2 :: 2.18 HB3 :: 2.18 HG2 :: 2.59 HG3 :: 2.69 HE1 :: 2.03 HE2 :: 2.03 HE3 :: 2.03 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 :: 117.3 Ave N Shift Values>> N :: 120.1(3.88) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 M 0.16 V 0.15 R 0.13 E 0.1 Q 0.1 H 0.09 I 0.02 C Shift Assignments>> CA :: 58.8 CB :: 32.5 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 :: 8.47 HA :: 4.11 HB2 :: 2.01 HB3 :: 1.90 HG2 :: 1.57 HG3 :: 1.57 HE2 :: 2.98 HE3 :: 2.98 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 :: 117.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.24 K 0.16 R 0.13 F 0.06 Y 0.04 N 0.04 G 0.01 C Shift Assignments>> CA :: 54.1 CB :: 42.2 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 :: 7.36 HA :: 4.84 HB2 :: 2.77 HB3 :: 3.15 HD21 :: 7.23 HD22 :: 7.65 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 :: 111.4 ND2 :: 111.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.8 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.98 HA2 :: 3.57 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 :: 104.1 Ave N Shift Values>> N :: 109.91(4.29) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.19 L 0.15 Y 0.14 R 0.13 D 0.05 I 0.04 C Shift Assignments>> CA :: 58.1 CB :: 41.8 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 :: 7.98 HA :: 4.94 HB2 :: 2.57 HB3 :: 2.57 HD1 :: 6.75 HD2 :: 6.75 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 :: 115.5 Ave N Shift Values>> N :: 120.79(4.69) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.02 D 0.01 C Shift Assignments>> CA :: 52.9 CB :: 45.3 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 :: 8.40 HA :: 4.62 HB2 :: 1.52 HB3 :: 1.45 HG :: 1.55 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 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 :: 116.7 Ave N Shift Values>> N :: 121.98(4.07) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 G 0.32 A 0.14 HN Overlap>> 1.E67 1.E67 C Shift Assignments>> CA :: 58.1 CB :: 42.5 CG2 :: 15.7 CD1 :: 16.3 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 :: 8.00 HA :: 5.36 HB :: 1.44 HG12 :: 1.54 HG13 :: 1.93 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 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 :: 116.2 Ave N Shift Values>> N :: 121.6(4.72) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.03 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> CA :: 59.8 CB :: 68.1 CG2 :: 22.6 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 :: 8.09 HA :: 4.69 HB :: 4.79 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 :: 114.3 Ave N Shift Values>> N :: 115.7(5.05) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.32 T 0.2 S 0.19 I 0.14 P 0.12 C Shift Assignments>> CA :: 66.1 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 :: 2.12 HB3 :: 2.37 HG2 :: 2.19 HG3 :: 2.19 HD2 :: 3.86 HD3 :: 3.99 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.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 T 0.21 V 0.19 F 0.07 P 0.06 Y 0.05 S 0.05 E 0.02 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.3 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.12 HA :: 4.33 HB2 :: 3.93 HB3 :: 3.93 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 :: 105.8 Ave N Shift Values>> N :: 116.3(3.95) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.42 I 0.02 V 0.01 L 0.01 C Shift Assignments>> CA :: 55.1 CB :: 19.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.41 HA :: 3.95 HB1 :: 1.29 HB2 :: 1.29 HB3 :: 1.29 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 123.23(3.7) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 Y 0.15 F 0.14 E 0.01 V 0.01 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> CA :: 62.5 CB :: 38.1 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 :: 8.55 HA :: 4.00 HB2 :: 2.76 HB3 :: 3.30 HD1 :: 6.46 HD2 :: 6.46 HE1 :: 6.89 HE2 :: 6.89 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 :: 116.2 Ave N Shift Values>> N :: 120.79(4.69) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 Y 0.19 F 0.17 E 0.02 C Shift Assignments>> CA :: 61.8 CB :: 38.2 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 :: 7.97 HA :: 4.08 HB2 :: 2.99 HB3 :: 3.20 HD1 :: 7.27 HD2 :: 7.27 HE1 :: 6.91 HE2 :: 6.91 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 :: 113.5 Ave N Shift Values>> N :: 120.79(4.69) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 G 0.18 K 0.04 R 0.01 C Shift Assignments>> CA :: 57.3 CB :: 43.5 CD1 :: 24.1 CD2 :: 25.4 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 :: 7.61 HA :: 4.25 HB2 :: 1.99 HB3 :: 1.46 HG :: 1.88 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 HD21 :: 0.93 HD22 :: 0.93 HD23 :: 0.93 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 :: 115.0 Ave N Shift Values>> N :: 121.98(4.07) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.16 R 0.04 F 0.01 Y 0.01 C Shift Assignments>> CA :: 56.7 CB :: 45.9 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 :: 7.67 HA :: 4.59 HB2 :: 1.60 HB3 :: 2.01 HG :: 1.56 HD11 :: 0.84 HD12 :: 0.84 HD13 :: 0.84 HD21 :: 0.93 HD22 :: 0.93 HD23 :: 0.93 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 :: 111.8 Ave N Shift Values>> N :: 121.98(4.07) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.2 CB :: 30.7 CG1 :: 19.1 CG2 :: 22.2 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 :: 8.67 HA :: 3.18 HB :: 1.32 HG11 :: 0.55 HG12 :: 0.55 HG13 :: 0.55 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 :: 117.4 Ave N Shift Values>> N :: 121.02(4.96) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.30 HA2 :: 3.64 HA3 :: 3.77 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.3 Ave N Shift Values>> N :: 109.91(4.29) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 E 0.19 H 0.15 Q 0.11 K 0.11 M 0.11 V 0.06 I 0.04 C Shift Assignments>> CA :: 58.4 CB :: 30.9 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 :: 7.11 HA :: 4.40 HB2 :: 3.00 HB3 :: 3.34 HD2 :: 7.43 HE1 :: 7.97 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 :: 115.7 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 Y 0.23 F 0.21 E 0.03 C Shift Assignments>> CA :: 61.2 CB :: 38.4 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 :: 8.06 HA :: 3.22 HB2 :: 2.26 HB3 :: 2.52 HD1 :: 6.63 HD2 :: 6.63 HE1 :: 7.27 HE2 :: 7.27 HZ :: 7.37 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 :: 118.6 Ave N Shift Values>> N :: 120.69(4.18) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.23 F 0.15 E 0.15 D 0.09 M 0.03 I 0.03 L 0.02 K 0.01 C Shift Assignments>> CA :: 55.4 CB :: 37.8 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 :: 8.80 HA :: 4.23 HB2 :: 2.83 HB3 :: 2.92 HD21 :: 6.93 HD22 :: 7.45 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 :: 117.4 ND2 :: 106.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.19 E 0.17 Q 0.16 M 0.11 K 0.1 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.1 CB :: 30.4 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 :: 7.38 HA :: 4.27 HB2 :: 2.01 HB3 :: 2.23 HG2 :: 2.33 HG3 :: 2.44 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 :: 113.7 Ave N Shift Values>> N :: 120.68(3.68) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.71 HA2 :: 3.72 HA3 :: 3.93 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.3 Ave N Shift Values>> N :: 109.91(4.29) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 M 0.23 Q 0.22 R 0.09 H 0.07 E 0.06 V 0.05 C Shift Assignments>> CA :: 57.2 CB :: 33.2 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 :: 7.87 HA :: 4.12 HB2 :: 1.83 HB3 :: 1.95 HG2 :: 1.51 HG3 :: 1.65 HD2 :: 1.74 HD3 :: 1.74 HE2 :: 3.00 HE3 :: 3.00 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 :: 113.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> L 0.22 K 0.21 D 0.2 F 0.13 Y 0.1 R 0.06 N 0.04 I 0.01 C Shift Assignments>> CA :: 55.7 CB :: 41.4 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 :: 6.93 HA :: 5.05 HB2 :: 3.21 HB3 :: 3.35 HD1 :: 7.23 HD2 :: 7.23 HE1 :: 7.27 HE2 :: 7.27 HZ :: 7.16 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 :: 105.7(S) Ave N Shift Values>> N :: 120.69(4.18) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> CA :: 55.9 CB :: 66.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.06 HA :: 4.92 HB2 :: 4.02 HB3 :: 4.33 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 :: 112.9 Ave N Shift Values>> N :: 116.3(3.95) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.26 K 0.19 I 0.11 G 0.02 C Shift Assignments>> CA :: 59.0 CB :: 42.5 CG :: 27.0 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 :: 9.33 HA :: 4.10 HB2 :: 1.74 HB3 :: 1.89 HG :: 1.74 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 HD21 :: 0.88 HD22 :: 0.88 HD23 :: 0.88 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 :: 121.1 Ave N Shift Values>> N :: 121.98(4.07) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 62.9 CB :: 38.0 CG1 :: 28.6 CG2 :: 18.4 CD1 :: 13.5 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 :: 8.04 HA :: 3.90 HB :: 1.93 HG12 :: 1.43 HG13 :: 1.52 HG21 :: 1.00 HG22 :: 1.00 HG23 :: 1.00 HD11 :: 0.94 HD12 :: 0.94 HD13 :: 0.94 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 :: 111.6 Ave N Shift Values>> N :: 121.6(4.72) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 R 0.16 I 0.14 H 0.12 V 0.11 Q 0.1 K 0.08 M 0.05 P 0.02 C Shift Assignments>> CA :: 59.8 CB :: 30.3 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 :: 7.66 HA :: 4.08 HB2 :: 2.67 HB3 :: 2.36 HG2 :: 2.51 HG3 :: 2.51 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 :: 117.6 Ave N Shift Values>> N :: 120.68(3.68) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 A 0.18 L 0.06 M 0.01 HN Overlap>> 1.R47 1.R47 C Shift Assignments>> CA :: 57.1 CB :: 41.3 CG :: 27.1 CD1 :: 20.8 CD2 :: 28.5 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 :: 7.27 HA :: 3.34 HB2 :: 0.87 HB3 :: 1.81 HG :: 1.02 HD11 :: -0.10 HD12 :: -0.10 HD13 :: -0.10 HD21 :: 0.81 HD22 :: 0.81 HD23 :: 0.81 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 :: 117.8 Ave N Shift Values>> N :: 121.98(4.07) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.5 CB :: 37.5 CG2 :: 16.6 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 :: 8.04 HA :: 2.94 HB :: 1.66 HG12 :: 0.35 HG13 :: 1.28 HG21 :: 0.69 HG22 :: 0.69 HG23 :: 0.69 HD11 :: 0.61 HD12 :: 0.61 HD13 :: 0.61 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 :: 116.5 Ave N Shift Values>> N :: 121.6(4.72) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.32 K 0.15 M 0.1 R 0.09 Q 0.08 E 0.07 H 0.05 P 0.05 I 0.03 C Shift Assignments>> CA :: 60.1 CB :: 32.7 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 :: 8.40 HA :: 3.86 HB2 :: 1.91 HB3 :: 1.91 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 2.99 HE3 :: 2.99 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 :: 115.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 F 0.28 Y 0.21 K 0.01 C Shift Assignments>> CA :: 61.8 CB :: 40.3 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 :: 7.74 HA :: 4.16 HB2 :: 3.38 HB3 :: 3.11 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 7.41 HE2 :: 7.41 HZ :: 7.18 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 :: 118.0 Ave N Shift Values>> N :: 120.69(4.18) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.2 I 0.09 C Shift Assignments>> CA :: 56.0 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 :: 8.50 HA :: 3.70 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 :: 120.8 Ave N Shift Values>> N :: 123.23(3.7) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 R 0.44 G 0.04 I 0.03 C Shift Assignments>> CA :: 59.4 CB :: 32.4 CE :: 42.6 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 :: 8.83 HA :: 4.29 HB2 :: 1.88 HB3 :: 2.05 HG2 :: 1.47 HG3 :: 1.59 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 3.02 HE3 :: 3.02 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 :: 115.6 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.2 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 :: 7.91 HA :: 4.31 HB2 :: 3.96 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 :: 113.8 Ave N Shift Values>> N :: 116.3(3.95) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 Q 0.19 R 0.17 K 0.14 E 0.13 M 0.09 L 0.01 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> CA :: 54.5 CB :: 29.8 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 :: 7.29 HA :: 4.32 HB2 :: 1.51 HB3 :: 2.08 HG2 :: 1.30 HG3 :: 1.30 HD2 :: 2.80 HD3 :: 2.80 HE :: 7.18 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 :: 117.8 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.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 L 0.22 Q 0.15 K 0.12 H 0.1 E 0.06 I 0.05 C Shift Assignments>> CA :: 56.6 CB :: 27.1 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 :: 7.98 HA :: 3.82 HB2 :: 2.09 HB3 :: 2.18 HG2 :: 2.17 HG3 :: 2.17 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 :: 112.9 Ave N Shift Values>> N :: 120.68(3.68) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 A 0.05 C Shift Assignments>> CA :: 59.0 CB :: 71.1 CG2 :: 19.6 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 :: 7.30 HA :: 4.85 HB :: 3.93 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 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 :: 107.5 Ave N Shift Values>> N :: 115.7(5.05) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.29 F 0.29 D 0.12 L 0.09 I 0.07 N 0.04 K 0.03 E 0.01 C Shift Assignments>> CA :: 57.1 CB :: 39.7 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 :: 8.06 HA :: 4.91 HB2 :: 2.76 HB3 :: 3.01 HD1 :: 6.75 HD2 :: 6.75 HE1 :: 7.10 HE2 :: 7.10 HZ :: 7.11 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) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.3 I 0.28 L 0.02 K 0.02 D 0.01 C Shift Assignments>> CA :: 59.9 CB :: 39.8 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 :: 8.13 HA :: 4.44 HB :: 1.63 HG12 :: 0.77 HG13 :: 1.16 HG21 :: 0.68 HG22 :: 0.68 HG23 :: 0.68 HD11 :: 0.69 HD12 :: 0.69 HD13 :: 0.69 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 :: 117.8 Ave N Shift Values>> N :: 121.6(4.72) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.1 CB :: 36.7 CG1 :: 27.8 CG2 :: 17.8 CD1 :: 13.6 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 :: 9.08 HA :: 3.84 HB :: 2.01 HG12 :: 1.07 HG13 :: 1.44 HG21 :: 0.76 HG22 :: 0.76 HG23 :: 0.76 HD11 :: 0.58 HD12 :: 0.58 HD13 :: 0.58 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 :: 124.7 Ave N Shift Values>> N :: 121.6(4.72) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.26 G 0.16 R 0.12 N 0.06 K 0.05 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.4 CB :: 42.9 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 :: 6.97 HA :: 5.23 HB2 :: 2.56 HB3 :: 3.27 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 :: 122.9 Ave N Shift Values>> N :: 120.73(4.2) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.29 I 0.11 L 0.08 K 0.07 D 0.07 N 0.01 C Shift Assignments>> CA :: 58.1 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 :: 8.32 HA :: 3.99 HB2 :: 2.56 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 :: 114.5 Ave N Shift Values>> N :: 120.73(4.2) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 E 0.17 R 0.13 K 0.13 H 0.12 Q 0.11 V 0.05 M 0.03 P 0.01 C Shift Assignments>> CA :: 59.8 CB :: 29.4 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 :: 7.77 HA :: 4.19 HB2 :: 2.20 HB3 :: 2.20 HG2 :: 2.30 HG3 :: 2.39 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 :: 116.8 Ave N Shift Values>> N :: 120.68(3.68) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E67 1.E67 C Shift Assignments>> CA :: 62.5 CB :: 36.2 CG2 :: 17.9 CD1 :: 10.2 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 :: 8.11 HA :: 3.98 HB :: 2.27 HG12 :: 1.77 HG13 :: 1.94 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 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 :: 116.1 Ave N Shift Values>> N :: 121.6(4.72) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.27 I 0.05 V 0.03 L 0.01 T 0.01 C Shift Assignments>> CA :: 56.0 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 :: 8.78 HA :: 3.84 HB1 :: 1.44 HB2 :: 1.44 HB3 :: 1.44 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.6 Ave N Shift Values>> N :: 123.23(3.7) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 D 0.13 L 0.07 I 0.07 N 0.07 E 0.03 K 0.01 C Shift Assignments>> CA :: 56.8 CB :: 39.3 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 :: 8.45 HA :: 4.38 HB2 :: 2.70 HB3 :: 2.93 HD21 :: 6.71 HD22 :: 7.32 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 :: 112.0 ND2 :: 108.5 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.4 K 0.06 M 0.02 Q 0.01 HN Overlap>> 1.E67 1.E67 C Shift Assignments>> CA :: 59.4 CB :: 29.4 CG :: 36.9 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 :: 8.17 HA :: 4.01 HB2 :: 2.36 HB3 :: 2.36 HG2 :: 2.51 HG3 :: 2.65 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 :: 116.2 Ave N Shift Values>> N :: 120.68(3.68) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 Y 0.28 F 0.25 E 0.04 C Shift Assignments>> CA :: 60.3 CB :: 38.5 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 :: 8.80 HA :: 2.94 HB2 :: 2.43 HB3 :: 2.64 HD1 :: 6.19 HD2 :: 6.19 HE1 :: 5.91 HE2 :: 5.91 HZ :: 6.51 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 :: 119.4 Ave N Shift Values>> N :: 120.69(4.18) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.06 A 0.02 C Shift Assignments>> CA :: 57.5 CB :: 40.9 CG :: 26.9 CD1 :: 25.9 CD2 :: 22.3 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 :: 8.18 HA :: 3.40 HB2 :: 1.84 HB3 :: 1.09 HG :: 1.75 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.41 HD22 :: 0.41 HD23 :: 0.41 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 :: 116.4 Ave N Shift Values>> N :: 121.98(4.07) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 V 0.19 M 0.14 R 0.13 E 0.1 Q 0.09 H 0.08 I 0.02 P 0.01 C Shift Assignments>> CA :: 59.2 CB :: 32.5 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 :: 7.59 HA :: 4.02 HB2 :: 1.85 HB3 :: 1.85 HG2 :: 1.39 HG3 :: 1.39 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 2.94 HE3 :: 2.94 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 :: 114.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.4 CB :: 63.3 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.70 HA :: 4.21 HB2 :: 3.88 HB3 :: 3.92 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 :: 113.8 Ave N Shift Values>> N :: 116.3(3.95) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.2 CB :: 38.1 CG2 :: 17.6 CD1 :: 14.7 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 :: 6.91 HA :: 4.38 HB :: 1.99 HG12 :: 0.72 HG13 :: 0.92 HG21 :: 0.30 HG22 :: 0.30 HG23 :: 0.30 HD11 :: 0.42 HD12 :: 0.42 HD13 :: 0.42 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 :: 110.3 Ave N Shift Values>> N :: 121.6(4.72) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> CA :: 46.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.58 HA2 :: 3.83 HA3 :: 3.96 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.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 L 0.01 C Shift Assignments>> CA :: 51.7 CB :: 20.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.76 HA :: 4.35 HB1 :: 1.01 HB2 :: 1.01 HB3 :: 1.01 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 123.23(3.7) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.2 E 0.17 Q 0.16 M 0.12 K 0.09 I 0.01 V 0.01 HN Overlap>> 1.I56 1.I56 1.I18 1.E59 1.I18 1.E59 C Shift Assignments>> CA :: 56.1 CB :: 30.5 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 :: 8.07 HA :: 4.30 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 2.26 HG3 :: 2.26 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 :: 116.2 Ave N Shift Values>> N :: 120.68(3.68) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.8 CB :: 33.4 CG1 :: 21.4 CG2 :: 21.4 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 :: 7.99 HA :: 4.18 HB :: 2.05 HG11 :: 0.90 HG12 :: 0.90 HG13 :: 0.90 HG21 :: 0.90 HG22 :: 0.90 HG23 :: 0.90 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 :: 117.4 Ave N Shift Values>> N :: 121.02(4.96) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.2 E 0.16 Q 0.15 M 0.14 K 0.1 V 0.01 I 0.01 C Shift Assignments>> CA :: 55.9 CB :: 30.7 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 :: 8.26 HA :: 4.36 HB2 :: 2.00 HB3 :: 2.00 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 :: 121.4 Ave N Shift Values>> N :: 120.68(3.68) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.11 A 0.03 G 0.03 C Shift Assignments>> CA :: 52.8 CB :: 42.2 CG :: 27.6 CD1 :: 23.8 CD2 :: 25.5 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 :: 8.19 HA :: 4.62 HB2 :: 1.55 HB3 :: 1.55 HG :: 1.64 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 HD21 :: 0.91 HD22 :: 0.91 HD23 :: 0.91 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 :: 122.1 Ave N Shift Values>> N :: 121.98(4.07) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.1 CB :: 32.1 CG :: 28.1 CD :: 51.0 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 :: 4.42 HB2 :: 1.91 HB3 :: 2.28 HG2 :: 2.01 HG3 :: 2.27 HD2 :: 3.63 HD3 :: 3.83 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.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 Q 0.18 R 0.17 E 0.16 K 0.14 M 0.08 I 0.01 C Shift Assignments>> CA :: 55.8 CB :: 29.9 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 :: 8.27 HA :: 4.29 HB2 :: 1.97 HB3 :: 1.97 HG2 :: 2.38 HG3 :: 2.38 HE21 :: 6.74 HE22 :: 7.44 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 :: 117.0 NE2 :: 108.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.19 E 0.18 Q 0.15 M 0.12 K 0.1 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.4 CB :: 30.6 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 :: 8.31 HA :: 4.32 HB2 :: 1.95 HB3 :: 1.95 HG2 :: 2.26 HG3 :: 2.26 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 :: 118.5 Ave N Shift Values>> N :: 120.68(3.68) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.1 CB :: 38.7 CG1 :: 27.6 CG2 :: 18.0 CD1 :: 13.4 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 :: 8.04 HA :: 4.17 HB :: 1.86 HG12 :: 1.17 HG13 :: 1.46 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 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 :: 119.6 Ave N Shift Values>> N :: 121.6(4.72) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.39 M 0.03 G 0.03 C Shift Assignments>> CA :: 57.5 CB :: 34.1 CG :: 25.1 CD :: 29.6 CE :: 42.6 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 :: 7.77 HA :: 4.19 HB2 :: 1.75 HB3 :: 1.85 HG2 :: 1.40 HG3 :: 1.40 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.02 HE3 :: 3.02 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 :: 127.6 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 74 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 75 #Suspicious: 0 C Shift Results: #Consistent: 183 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 537 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 71 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.F35 N = 105.7(S), Expected = 120.69, Std = 4.1800, ChiSquare = 3.3563e-04