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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 57.344 CB :: 63.139 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.417 HB3 :: 3.65 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) 1.F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 N 0.3 F 0.22 D 0.1 L 0.02 E 0.01 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> C :: 174.6 CB :: 38.975 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 :: 8.351 HA :: 4.706 HB2 :: 3.132 HB3 :: 2.984 HD1 :: 7.218 HD2 :: 7.218 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 :: 121.492 Ave N Shift Values>> N :: 120.69(4.18) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173 CA :: 60.751 CB :: 69.46 CG2 :: 20.868 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 :: 8.149 HA :: 4.462 HB :: 4.097 HG21 :: 1.119 HG22 :: 1.119 HG23 :: 1.119 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 :: 115.8 Ave N Shift Values>> N :: 115.7(5.05) 1.E5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.F3 1.F3 C Shift Assignments>> C :: 175 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 :: 8.252 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 :: 121.531 Ave N Shift Values>> N :: 120.68(3.68) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 171.7 CA :: 45.712 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.143 HA2 :: 4.541 HA3 :: 4.495 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.569 Ave N Shift Values>> N :: 109.91(4.29) 1.W7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 W 0.19 E 0.19 H 0.17 M 0.1 K 0.09 V 0.02 C Shift Assignments>> C :: 171.5 CA :: 57.248 CB :: 30.622 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 :: 9.052 HA :: 5.164 HB2 :: 3.594 HB3 :: 3.18 HD1 :: 7.028 HE1 :: 10.041 HE3 :: 7.321 HZ2 :: 6.819 HZ3 :: 6.971 HH2 :: 6.704 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 :: 119.2 NE1 :: 129.909 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.8 CA :: 59.656 CB :: 32.269 CG1 :: 20.55 CG2 :: 20.551 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 :: 8.931 HA :: 4.246 HB :: 1.722 HG11 :: 0.608 HG12 :: 0.608 HG13 :: 0.608 HG21 :: 0.58 HG22 :: 0.58 HG23 :: 0.58 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 :: 119.713 Ave N Shift Values>> N :: 121.02(4.96) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.57 K 0.32 G 0.08 C Shift Assignments>> C :: 175.4 CA :: 55.361 CB :: 31.295 CG :: 25.789 CD :: 43.155 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 :: 8.656 HA :: 4.955 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 1.987 HG3 :: 1.987 HD2 :: 3.186 HD3 :: 3.368 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) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.29 E 0.2 M 0.02 D 0.01 N 0.01 L 0.01 C Shift Assignments>> C :: 172.4 CA :: 58.562 CB :: 37.888 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 :: 8.359 HA :: 3.83 HB2 :: 2.749 HB3 :: 2.749 HD1 :: 7.004 HD2 :: 7.004 HE1 :: 7.343 HE2 :: 7.343 HZ :: 7.263 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 :: 127.692 Ave N Shift Values>> N :: 120.69(4.18) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 P 0.11 C Shift Assignments>> CA :: 53.453 CB :: 65.254 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.766 HA :: 4.558 HB2 :: 4.029 HB3 :: 3.432 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 :: 120.189 Ave N Shift Values>> N :: 116.3(3.95) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.495 CA :: 62.269 CB :: 30.965 CG :: 25.561 CD :: 49.641 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 :: 4.418 HB2 :: 2.189 HB3 :: 1.988 HG2 :: 2.009 HD2 :: 3.741 HD3 :: 3.472 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.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.32 K 0.1 D 0.07 F 0.06 Y 0.03 G 0.03 C Shift Assignments>> CA :: 42.875 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.109 HA2 :: 4.311 HA3 :: 3.48 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.457 Ave N Shift Values>> N :: 109.91(4.29) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 A 0.31 G 0.1 C Shift Assignments>> C :: 173.5 CA :: 62.629 CB :: 34.085 CG :: 23.558 CD :: 49.541 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 :: 4.508 HB2 :: 2.237 HG2 :: 1.843 HG3 :: 1.572 HD2 :: 3.531 HD3 :: 3.329 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.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.37 L 0.11 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 50.038 CB :: 40.936 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 :: 8.182 HA :: 5.709 HB2 :: 2.528 HB3 :: 2.747 HD21 :: 6.64 HD22 :: 7.392 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 :: 119.671 ND2 :: 112.951 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 L 0.2 M 0.11 C Shift Assignments>> C :: 173.3 CA :: 50.3 CB :: 22.044 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.909 HA :: 4.742 HB1 :: 1.228 HB2 :: 1.228 HB3 :: 1.228 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.615 Ave N Shift Values>> N :: 123.23(3.7) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.08 L 0.04 C Shift Assignments>> C :: 174 CA :: 49.845 CB :: 20.984 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.379 HA :: 5.12 HB1 :: 0.943 HB2 :: 0.943 HB3 :: 0.943 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.699 Ave N Shift Values>> N :: 123.23(3.7) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 G 0.14 L 0.11 M 0.07 C Shift Assignments>> C :: 172.7 CA :: 49.117 CB :: 22.014 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.254 HA :: 4.476 HB1 :: 0.849 HB2 :: 0.849 HB3 :: 0.849 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.914 Ave N Shift Values>> N :: 123.23(3.7) 1.Y19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.29 N 0.21 Y 0.15 F 0.15 L 0.12 K 0.03 C Shift Assignments>> C :: 173.1 CA :: 54.852 CB :: 39.842 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 :: 8.094 HA :: 4.306 HB2 :: 2.879 HB3 :: 1.109(S) HE1 :: 5.863 HE2 :: 5.863 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 :: 119.938 Ave N Shift Values>> N :: 120.79(4.69) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.22 K 0.04 G 0.01 C Shift Assignments>> C :: 174.2 CA :: 55.277 CB :: 42.004 CG :: 27.056 CD1 :: 24.806 CD2 :: 27.048 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 :: 8.081 HA :: 5.075 HB2 :: 1.612 HB3 :: 2.283 HG :: 0.842 HD11 :: 1.627 HD12 :: 1.627 HD13 :: 1.627 HD21 :: 0.8 HD22 :: 0.8 HD23 :: 0.8 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 :: 114.908 Ave N Shift Values>> N :: 121.98(4.07) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.9 CA :: 61.302 CB :: 69.104 CG2 :: 21.095 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 :: 8.502 HA :: 4.925 HB :: 4.031 HG21 :: 1.045 HG22 :: 1.045 HG23 :: 1.045 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 :: 117.994 Ave N Shift Values>> N :: 115.7(5.05) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.34 A 0.01 C Shift Assignments>> C :: 173.4 CA :: 52.712 CB :: 44.004 CD1 :: 24.718 CD2 :: 24.225 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 :: 8.677 HA :: 4.762 HB2 :: 1.593 HB3 :: 1.285 HG :: 1.486 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 128.357 Ave N Shift Values>> N :: 121.98(4.07) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 E 0.42 K 0.06 C Shift Assignments>> C :: 173.9 CA :: 54.084 CB :: 31.431 CG :: 35.59 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 :: 8.468 HA :: 4.698 HB2 :: 1.883 HB3 :: 1.699 HG2 :: 2.08 HG3 :: 1.9 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 :: 123.736 Ave N Shift Values>> N :: 120.68(3.68) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 N 0.08 D 0.02 C Shift Assignments>> CA :: 47.582 CB :: 39.127 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 :: 8.305 HA :: 5.003 HB2 :: 2.041 HB3 :: 3.151 HD21 :: 7.499 HD22 :: 6.443 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 :: 116.167 ND2 :: 112.617 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> C :: 176.2 CA :: 61.989 CB :: 31.197 CG :: 25.22 CD :: 49.325 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 :: 4.481 HB2 :: 2.107 HB3 :: 1.936 HG2 :: 1.783 HG3 :: 1.744 HD2 :: 3.423 HD3 :: 3.658 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.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.3 G 0.14 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 170.9 CA :: 43.633 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.468 HA2 :: 4.201 HA3 :: 3.783 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.395 Ave N Shift Values>> N :: 109.91(4.29) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.18 N 0.16 K 0.09 F 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 174.7 CA :: 53.956 CB :: 40.803 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 :: 7.922 HA :: 4.512 HB2 :: 2.638 HB3 :: 2.38 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 :: 112.947 Ave N Shift Values>> N :: 120.73(4.2) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 A 0.35 G 0.02 C Shift Assignments>> CA :: 50.866 CB :: 41.602 CG :: 25.816 CD1 :: 24.139 CD2 :: 22.033 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 :: 7.499 HA :: 4.76 HB2 :: 1.448 HB3 :: 1.377 HG :: 1.488 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 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 :: 120.065 Ave N Shift Values>> N :: 121.98(4.07) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.962 CB :: 31.344 CG :: 26.594 CD :: 49.583 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 :: 4.06 HB2 :: 1.573 HB3 :: 2.1 HG2 :: 1.966 HG3 :: 1.841 HD2 :: 3.679 HD3 :: 3.51 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.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.21 A 0.09 C Shift Assignments>> C :: 174.6 CA :: 52.119 CB :: 44.719 CD1 :: 22.848 CD2 :: 22.882 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 :: 8.014 HA :: 4.594 HB2 :: 1.445 HB3 :: 1.25 HG :: 1.281 HD11 :: 0.397 HD12 :: 0.397 HD13 :: 0.397 HD21 :: 0.296 HD22 :: 0.296 HD23 :: 0.296 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 :: 123.184 Ave N Shift Values>> N :: 121.98(4.07) 1.R31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.57 K 0.4 G 0.01 C Shift Assignments>> C :: 173.2 CA :: 54.766 CB :: 30.961 CG :: 27.262 CD :: 42.048 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 :: 9.149 HA :: 4.888 HB2 :: 1.523 HB3 :: 1.609 HG2 :: 1.192 HG3 :: 1.119 HD2 :: 2.466 HD3 :: 2.15(S) 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 :: 124.971 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.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 A 0.11 G 0.05 R 0.03 C Shift Assignments>> C :: 175.1 CA :: 54.102 CB :: 42.512 CG :: 25.702 CD1 :: 22.756 CD2 :: 25.451 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 :: 8.987 HA :: 4.15 HB2 :: 1.061 HB3 :: 1.917 HG :: 1.277 HD11 :: 0.558 HD12 :: 0.558 HD13 :: 0.558 HD21 :: 0.643 HD22 :: 0.643 HD23 :: 0.643 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 :: 131.179 Ave N Shift Values>> N :: 121.98(4.07) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 A 0.03 C Shift Assignments>> C :: 175.3 CA :: 59.902 CB :: 31.739 CG1 :: 20.426 CG2 :: 16.816 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 :: 8.757 HA :: 4.811 HB :: 2.395 HG11 :: 0.82 HG12 :: 0.82 HG13 :: 0.82 HG21 :: 0.449 HG22 :: 0.449 HG23 :: 0.449 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 :: 117.219 Ave N Shift Values>> N :: 121.02(4.96) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.15 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 168.9 CA :: 44.615 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.573 HA2 :: 3.866 HA3 :: 4.209 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.093 Ave N Shift Values>> N :: 109.91(4.29) 1.A35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.78 M 0.11 L 0.1 C Shift Assignments>> C :: 173.9 CA :: 50.343 CB :: 21.491 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.478 HA :: 5.092 HB1 :: 0.549(S) HB2 :: 0.549(S) HB3 :: 0.549(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.102 Ave N Shift Values>> N :: 123.23(3.7) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.42 G 0.04 C Shift Assignments>> C :: 172.4 CA :: 54.154 CB :: 32.805 CG :: 26.095 CD :: 42.567 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 :: 8.325 HA :: 4.433 HB2 :: 1.668 HB3 :: 1.668 HG2 :: 1.432 HG3 :: 1.432 HD2 :: 3.039 HD3 :: 3.039 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 :: 114.162 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.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 T 0.2 S 0.01 C Shift Assignments>> CA :: 56.762 CB :: 68.917 CG2 :: 18.863 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 :: 8.838 HA :: 5.1 HB :: 4.274 HG1 :: 5.72 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 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 :: 117.408 Ave N Shift Values>> N :: 115.7(5.05) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.2 CA :: 62.865 CB :: 31.343 CD :: 51.323 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 :: 4.404 HB2 :: 2.315 HB3 :: 1.806 HG2 :: 1.862 HG3 :: 1.862 HD2 :: 3.752 HD3 :: 3.859 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.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.1 CA :: 60.854 CB :: 31.538 CG1 :: 19.868 CG2 :: 19.406 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 :: 7.2 HA :: 4.151 HB :: 2.277 HG11 :: 0.757 HG12 :: 0.757 HG13 :: 0.757 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 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 :: 108.511 Ave N Shift Values>> N :: 121.02(4.96) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.07 G 0.06 L 0.04 C Shift Assignments>> C :: 174.3 CA :: 49.246 CB :: 21.246 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.471 HA :: 4.888 HB1 :: 0.953 HB2 :: 0.953 HB3 :: 0.953 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.022 Ave N Shift Values>> N :: 123.23(3.7) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.36 M 0.06 R 0.03 C Shift Assignments>> C :: 176.4 CA :: 58.54 CB :: 29.03 CG :: 35.127 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 :: 8.127 HA :: 3.931 HB2 :: 2.089 HB3 :: 2.132 HG2 :: 2.405 HG3 :: 2.266 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 :: 122.665 Ave N Shift Values>> N :: 120.68(3.68) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.2 G 0.07 C Shift Assignments>> C :: 171.8 CA :: 54.199 CB :: 34.981 CG :: 26.608 CD :: 42.302 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 :: 8.064 HA :: 4.586 HB2 :: 1.757 HB3 :: 1.677 HG2 :: 1.356 HG3 :: 1.481 HD2 :: 3.105 HD3 :: 3.105 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 :: 113.801 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 0.85 A 0.14 HN Overlap>> 1.F105 1.F105 C Shift Assignments>> C :: 174.9 CA :: 56.568 CB :: 32.363 CG1 :: 21.975 CG2 :: 21.915 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 :: 8.393 HA :: 5.001 HB :: 1.673 HG11 :: 0.569 HG12 :: 0.569 HG13 :: 0.569 HG21 :: 0.454 HG22 :: 0.454 HG23 :: 0.454 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 :: 119.964 Ave N Shift Values>> N :: 121.02(4.96) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.85 E 0.14 C Shift Assignments>> C :: 174 CA :: 52.795 CB :: 34.239 CG :: 35.56 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 :: 8.775 HA :: 4.741 HB2 :: 1.599 HB3 :: 1.917 HG2 :: 2.054 HG3 :: 2.25 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 :: 124.857 Ave N Shift Values>> N :: 120.68(3.68) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 A 0.39 G 0.02 C Shift Assignments>> C :: 173.8 CA :: 53.855 CB :: 41.949 CG :: 25.867 CD1 :: 21.609 CD2 :: 23.961 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 :: 8.949 HA :: 4.332 HB2 :: 1.063 HB3 :: 1.673 HG :: 1.065 HD11 :: 0.058 HD12 :: 0.058 HD13 :: 0.058 HD21 :: 0.228 HD22 :: 0.228 HD23 :: 0.228 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 :: 127.07 Ave N Shift Values>> N :: 121.98(4.07) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 K 0.2 E 0.15 N 0.09 H 0.04 Y 0.03 W 0.03 R 0.02 HN Overlap>> 1.L115 1.L115 C Shift Assignments>> C :: 173.2 CA :: 53.542 CB :: 34.785 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 :: 9.013 HA :: 5.145 HB2 :: 1.715 HB3 :: 2.429 HD2 :: 6.334 HE1 :: 7.494 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 :: 125.998 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 E 0.09 K 0.03 C Shift Assignments>> C :: 174.5 CA :: 52.978 CB :: 32.317 CG :: 34.025 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 :: 8.904 HA :: 4.502 HB2 :: 1.84 HB3 :: 1.768 HG2 :: 1.986 HG3 :: 1.645 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 :: 116.66 Ave N Shift Values>> N :: 120.68(3.68) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E97 1.E97 C Shift Assignments>> C :: 172.7 CA :: 61.335 CB :: 68.819 CG2 :: 20.917 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 :: 7.778 HA :: 5.082 HB :: 3.649 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 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 :: 119.627 Ave N Shift Values>> N :: 115.7(5.05) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.15 F 0.11 Y 0.1 K 0.09 R 0.01 HN Overlap>> 1.A106 1.A106 C Shift Assignments>> C :: 171.1 CA :: 54.381 CB :: 40.629 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 :: 8.782 HA :: 4.857 HB2 :: 2.613 HB3 :: 2.919 HD1 :: 6.788 HD2 :: 6.788 HE1 :: 6.884 HE2 :: 6.884 HZ :: 7.104 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 :: 125.064 Ave N Shift Values>> N :: 120.69(4.18) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.26 C Shift Assignments>> C :: 174.6 CA :: 52.942 CB :: 33.179 CG :: 31.091 CE :: 15.721 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 :: 8.476 HA :: 4.933 HB2 :: 1.826 HG2 :: 2.329 HG3 :: 2.402 HE1 :: 1.853 HE2 :: 1.853 HE3 :: 1.853 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 :: 119.451 Ave N Shift Values>> N :: 120.1(3.88) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 R 0.45 G 0.05 C Shift Assignments>> C :: 173.1 CA :: 53.472 CB :: 32.491 CG :: 26.1 CD :: 42.552 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 :: 8.727 HA :: 4.554 HB2 :: 1.704 HB3 :: 1.675 HG2 :: 1.435 HG3 :: 1.339 HD2 :: 3.008 HD3 :: 3.008 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 :: 123.914 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.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.21 K 0.19 C Shift Assignments>> C :: 175.2 CA :: 54.56 CB :: 30.04 CG :: 35.872 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 :: 8.501 HA :: 4.886 HB2 :: 1.685 HB3 :: 1.796 HG2 :: 1.811 HG3 :: 1.906 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 :: 122.721 Ave N Shift Values>> N :: 120.68(3.68) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.8 CA :: 60.797 CB :: 33.436 CG1 :: 19.622 CG2 :: 19.622 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 :: 8.881 HA :: 4.105 HB :: 1.804 HG11 :: 0.803 HG12 :: 0.803 HG13 :: 0.803 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 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 :: 126.387 Ave N Shift Values>> N :: 121.02(4.96) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.42 R 0.07 M 0.04 C Shift Assignments>> C :: 175.6 CA :: 56.265 CB :: 26.63 CG :: 35.626 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 :: 9.397 HA :: 3.744 HB2 :: 1.849 HB3 :: 2.118 HG2 :: 2.172 HG3 :: 2.124 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 :: 127.307 Ave N Shift Values>> N :: 120.68(3.68) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.2 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.9 CA :: 44.439 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.513 HA2 :: 4.011 HA3 :: 3.525 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.967 Ave N Shift Values>> N :: 109.91(4.29) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.11 A 0.06 M 0.04 C Shift Assignments>> C :: 174.2 CA :: 52.987 CB :: 33.669 CG :: 23.639 CD :: 28.134 CE :: 41.198 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 :: 7.752 HA :: 4.516 HB2 :: 1.675 HG2 :: 1.562 HG3 :: 1.292 HD2 :: 1.576 HD3 :: 1.576 HE2 :: 2.898 HE3 :: 2.898 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 :: 120.927 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.26 M 0.04 C Shift Assignments>> C :: 175.5 CA :: 55.128 CB :: 31.967 CG :: 24.308 CD :: 28.249 CE :: 41.225 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 :: 8.417 HA :: 4.601 HB2 :: 1.51 HB3 :: 1.65 HG2 :: 1.37 HG3 :: 1.203 HD2 :: 1.494 HD3 :: 1.494 HE2 :: 2.826 HE3 :: 2.826 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 :: 122.209 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 C Shift Assignments>> C :: 173.8 CA :: 59.83 CB :: 34.136 CG1 :: 19.467 CG2 :: 19.467 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 :: 8.914 HA :: 4.208 HB :: 1.823 HG11 :: 0.69 HG12 :: 0.69 HG13 :: 0.69 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 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 :: 124.087 Ave N Shift Values>> N :: 121.02(4.96) 1.M59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.31 C Shift Assignments>> C :: 175.4 CA :: 54.268 CB :: 32.589 CG :: 32.05 CE :: 16.724 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 :: 8.453 HA :: 4.758 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 2.321 HG3 :: 2.321 HE1 :: 2.092 HE2 :: 2.092 HE3 :: 2.092 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 :: 125.201 Ave N Shift Values>> N :: 120.1(3.88) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.29 K 0.07 D 0.06 G 0.05 F 0.05 Y 0.03 C Shift Assignments>> C :: 170.3 CA :: 43.15 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.421 HA2 :: 4.14 HA3 :: 2.836 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.895 Ave N Shift Values>> N :: 109.91(4.29) 1.M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.39 C Shift Assignments>> C :: 174.6 CA :: 53.97 CB :: 35.139 CG :: 31.972 CE :: 16.798 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 :: 8.121 HA :: 5.739 HB2 :: 2.099 HB3 :: 1.861 HG2 :: 2.635 HG3 :: 2.634 HE1 :: 1.851 HE2 :: 1.851 HE3 :: 1.851 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 :: 117.261 Ave N Shift Values>> N :: 120.1(3.88) 1.R62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 R 0.26 L 0.15 G 0.09 A 0.01 C Shift Assignments>> CA :: 52.178 CB :: 29.784 CG :: 24.67 CD :: 42.523 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 :: 8.637 HA :: 4.873 HB2 :: 1.7 HB3 :: 1.751 HG2 :: 1.423 HG3 :: 1.323 HD2 :: 2.747 HD3 :: 2.171(S) 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 :: 119.099 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.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.358 CB :: 31.155 CG :: 26.284 CD :: 49.706 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>> HB2 :: 1.946 HB3 :: 1.629 HG2 :: 1.876 HG3 :: 1.704 HD2 :: 3.467 HD3 :: 3.467 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.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 V 0.49 C Shift Assignments>> CA :: 56.761 CB :: 33.366 CG1 :: 21.087 CG2 :: 18.746 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 :: 8.096 HA :: 4.574 HB :: 1.754 HG11 :: 0.694 HG12 :: 0.694 HG13 :: 0.694 HG21 :: 0.623 HG22 :: 0.623 HG23 :: 0.623 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 :: 117.828 Ave N Shift Values>> N :: 121.02(4.96) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.729 CB :: 31.186 CG :: 26.27 CD :: 49.788 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 :: 4.28 HB2 :: 2.261 HB3 :: 1.924 HG2 :: 1.915 HG3 :: 1.714 HD2 :: 3.513 HD3 :: 3.55 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.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.19 Y 0.17 F 0.17 L 0.12 K 0.03 C Shift Assignments>> C :: 171.8 CA :: 55.054 CB :: 39.765 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 :: 6.506 HA :: 5.004 HB2 :: 3.27 HB3 :: 2.603 HD1 :: 6.688 HD2 :: 6.688 HE1 :: 7.169 HE2 :: 7.169 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 :: 108.252 Ave N Shift Values>> N :: 120.69(4.18) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.27 A 0.09 C Shift Assignments>> C :: 173.7 CA :: 53.196 CB :: 45.126 CG :: 25.533 CD1 :: 23.999 CD2 :: 22.618 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 :: 8.526 HA :: 4.295 HB2 :: 1.184 HB3 :: 0.992 HG :: 1.068 HD11 :: 0.116 HD12 :: 0.116 HD13 :: 0.116 HD21 :: 0.171 HD22 :: 0.171 HD23 :: 0.171 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 :: 118.539 Ave N Shift Values>> N :: 121.98(4.07) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 M 0.29 K 0.04 C Shift Assignments>> C :: 173.9 CA :: 54.792 CB :: 31.025 CG :: 36.973 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 :: 8.95 HA :: 5.002 HB2 :: 1.897 HB3 :: 1.831 HG2 :: 1.837 HG3 :: 2.004 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 :: 125.653 Ave N Shift Values>> N :: 120.68(3.68) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 A 0.25 C Shift Assignments>> CA :: 57.402 CB :: 31.551 CG1 :: 21.719 CG2 :: 19.244 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 :: 9.238 HA :: 4.426 HB :: 2.051 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 126.535 Ave N Shift Values>> N :: 121.02(4.96) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.34 CB :: 30.05 CG :: 26.362 CD :: 50.673 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 :: 4.523 HB2 :: 2.336 HB3 :: 1.703 HG2 :: 1.974 HG3 :: 1.931 HD2 :: 3.886 HD3 :: 3.429 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.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.1 CA :: 62.715 CB :: 31.25 CG :: 26.76 CD :: 49.949 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 :: 3.902 HB2 :: 1.85 HB3 :: 1.724 HG2 :: 1.294 HG3 :: 1.962 HD2 :: 3.295 HD3 :: 3.472 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.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 R 0.32 K 0.12 C Shift Assignments>> C :: 175.6 CA :: 56.111 CB :: 27.904 CG :: 23.931 CD :: 27.577 CE :: 41.6 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 :: 8.232 HA :: 4.023 HB2 :: 1.833 HB3 :: 1.897 HG2 :: 1.275 HG3 :: 1.091 HD2 :: 1.453 HD3 :: 1.453 HE2 :: 2.817 HE3 :: 2.817 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 :: 120.502 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.11 D 0.05 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 171.4 CA :: 43.527 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.924 HA2 :: 3.411 HA3 :: 4.415 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.136 Ave N Shift Values>> N :: 109.91(4.29) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.28 G 0.09 C Shift Assignments>> C :: 174.1 CA :: 53.805 CB :: 32.615 CG :: 24.761 CD :: 42.859 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 :: 8.285 HA :: 5.256 HB2 :: 1.688 HB3 :: 1.522 HG2 :: 1.275 HG3 :: 1.365 HD2 :: 3.04 HD3 :: 2.973 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 :: 116.383 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.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.3 CA :: 60.096 CB :: 34.486 CG1 :: 20.938 CG2 :: 20.587 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 :: 8.836 HA :: 4.446 HB :: 1.852 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 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 :: 119.528 Ave N Shift Values>> N :: 121.02(4.96) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.25 K 0.17 C Shift Assignments>> C :: 173.8 CA :: 54.588 CB :: 30.219 CG :: 35.838 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 :: 8.649 HA :: 4.651 HB2 :: 1.867 HB3 :: 1.813 HG3 :: 2.136 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 :: 125.052 Ave N Shift Values>> N :: 120.68(3.68) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.9 R 0.04 A 0.02 K 0.01 C Shift Assignments>> C :: 175.4 CA :: 56.188 CB :: 39.74 CG :: 28.634 CD1 :: 23.667 CD2 :: 25.546 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) N Shift Assignments>> N :: 129.8 Ave N Shift Values>> N :: 121.98(4.07) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.18 R 0.15 K 0.1 C Shift Assignments>> CA :: 52.793 CB :: 32.681 CG :: 21.522 CD :: 28.73 CE :: 41.3 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>> HA :: 4.592 HB2 :: 1.653 HG2 :: 1.385 HG3 :: 1.011 HD2 :: 1.55 HD3 :: 1.55 HE2 :: 2.851 HE3 :: 2.901 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 :: 121.496 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> CA :: 63.02 CB :: 30.307 CG :: 26.284 CD :: 49.076 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 :: 3.817 HB2 :: 1.638 HB3 :: 1.967 HG2 :: 0.981 HG3 :: 0.981 HD2 :: 3.306 HD3 :: 2.222(S) 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.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.34 L 0.27 R 0.27 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.16 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.118 HA3 :: 3.484 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.3 G 0.15 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 175.9 CA :: 43.678 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.17 HA2 :: 3.733 HA3 :: 4.643 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.532 Ave N Shift Values>> N :: 109.91(4.29) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.36 D 0.07 E 0.05 L 0.05 N 0.03 C Shift Assignments>> C :: 174 CA :: 57.779 CB :: 39.055 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 :: 9.684 HA :: 5.318 HB2 :: 2.682 HB3 :: 2.792 HD1 :: 7.096 HD2 :: 7.096 HE1 :: 6.815 HE2 :: 6.815 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 :: 129.182 Ave N Shift Values>> N :: 120.79(4.69) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.22 K 0.2 W 0.16 E 0.15 R 0.15 M 0.06 L 0.03 C Shift Assignments>> C :: 171.5 CA :: 55.42 CB :: 29.199 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 :: 8.723 HA :: 4.397 HB2 :: 3.388 HB3 :: 2.63 HD2 :: 6.319 HE1 :: 7.48 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 :: 111.474 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.21 L 0.15 N 0.07 K 0.07 C Shift Assignments>> C :: 174.9 CA :: 56.185 CB :: 40.178 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 :: 8.092 HA :: 5.084 HB2 :: 2.367 HB3 :: 2.342 HD1 :: 6.592 HD2 :: 6.592 HE1 :: 6.717 HE2 :: 6.717 HZ :: 6.787 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 :: 115.954 Ave N Shift Values>> N :: 120.69(4.18) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.46 C Shift Assignments>> C :: 173.3 CA :: 52.035 CB :: 31.114 CG :: 35.674 CE :: 14.197 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 :: 8.927 HA :: 5.046 HB2 :: 1.388 HB3 :: 1.18 HG2 :: 1.912 HE1 :: 1.703 HE2 :: 1.703 HE3 :: 1.703 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 :: 119.118 Ave N Shift Values>> N :: 120.1(3.88) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 A 0.06 C Shift Assignments>> C :: 173.8 CA :: 54.533 CB :: 39.303 CG :: 28.054 CD1 :: 24.807 CD2 :: 23.459 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 :: 9.558 HA :: 4.205 HB2 :: 0.99 HB3 :: 1.745 HG :: 1.393 HD11 :: 0.422 HD12 :: 0.422 HD13 :: 0.422 HD21 :: 0.491 HD22 :: 0.491 HD23 :: 0.491 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 :: 128.193 Ave N Shift Values>> N :: 121.98(4.07) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 A 0.34 G 0.05 C Shift Assignments>> C :: 176.1 CA :: 52.307 CB :: 41.925 CG :: 24.099 CD1 :: 24.687 CD2 :: 22.726 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 :: 8.756 HA :: 4.741 HB2 :: 1.514 HB3 :: 1.217 HD11 :: 0.564 HD12 :: 0.564 HD13 :: 0.564 HD21 :: 0.556 HD22 :: 0.556 HD23 :: 0.556 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 :: 123.781 Ave N Shift Values>> N :: 121.98(4.07) 1.G88 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>> C :: 174.9 CA :: 46.496 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.029 HA2 :: 3.739 HA3 :: 3.681 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.721 Ave N Shift Values>> N :: 109.91(4.29) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 A 0.18 C Shift Assignments>> C :: 178.9 CA :: 54.802 CB :: 41.081 CG :: 26.331 CD1 :: 22.301 CD2 :: 22.308 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 :: 8.841 HA :: 4.429 HB2 :: 1.49 HB3 :: 1.514 HG :: 1.525 HD11 :: 0.589 HD12 :: 0.589 HD13 :: 0.589 HD21 :: 0.673 HD22 :: 0.673 HD23 :: 0.673 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 :: 122.473 Ave N Shift Values>> N :: 121.98(4.07) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.3 M 0.02 C Shift Assignments>> C :: 174.6 CA :: 56.361 CB :: 32.257 CG :: 25.135 CD :: 28.118 CE :: 41.348 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 :: 8.713 HA :: 3.955 HB2 :: 1.914 HB3 :: 1.354 HG2 :: 1.279 HG3 :: 1.279 HD2 :: 1.533 HD3 :: 1.533 HE2 :: 2.71 HE3 :: 2.619 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 :: 121.799 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 K 0.34 R 0.06 G 0.05 A 0.01 C Shift Assignments>> CA :: 52.295 CB :: 28.316 CG :: 24.242 CD :: 42.531 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 :: 7.619 HA :: 4.589 HB2 :: 1.845 HB3 :: 1.588 HG2 :: 1.261 HG3 :: 1.261 HD2 :: 2.983 HD3 :: 2.983 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 :: 114.947 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.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 A 0.17 G 0.1 C Shift Assignments>> C :: 176.8 CA :: 61.591 CB :: 31.093 CG :: 23.648 CD :: 49.406 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 :: 4.282 HB2 :: 2.255 HB3 :: 1.678 HG2 :: 1.864 HG3 :: 1.994 HD2 :: 3.614 HD3 :: 3.632 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.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 L 0.21 G 0.08 C Shift Assignments>> C :: 175.5 CA :: 53.071 CB :: 42.646 CD1 :: 21.09 CD2 :: 25.654 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 :: 8.358 HA :: 4.514 HB2 :: 1.688 HB3 :: 1.259 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 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 :: 123.43 Ave N Shift Values>> N :: 121.98(4.07) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.52 L 0.32 R 0.14 C Shift Assignments>> C :: 174.8 CD :: 28.101 CE :: 41.189 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>> HE2 :: 2.875 HE3 :: 2.875 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) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.45 C Shift Assignments>> C :: 177.8 CA :: 52.628 CB :: 15.837 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.294 HA :: 3.668 HB1 :: 0.909 HB2 :: 0.909 HB3 :: 0.909 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.007 Ave N Shift Values>> N :: 123.23(3.7) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 R 0.29 L 0.28 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.2 CA :: 44.109 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.934 HA2 :: 4.295 HA3 :: 3.677 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.229 Ave N Shift Values>> N :: 109.91(4.29) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.2 M 0.17 HN Overlap>> 1.T48 1.T48 C Shift Assignments>> C :: 173 CA :: 54.941 CB :: 29.86 CG :: 35.967 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 :: 7.716 HA :: 4.435 HB2 :: 2.244 HB3 :: 1.896 HG2 :: 2.466 HG3 :: 1.987 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 :: 119.667 Ave N Shift Values>> N :: 120.68(3.68) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 E 0.43 K 0.1 C Shift Assignments>> C :: 175.4 CA :: 54.281 CB :: 31.037 CG :: 35.427 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 :: 8.249 HA :: 4.883 HB2 :: 1.684 HB3 :: 1.684 HG2 :: 2.087 HG3 :: 1.883 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 :: 117.873 Ave N Shift Values>> N :: 120.68(3.68) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173 CA :: 60.243 CB :: 34.179 CG1 :: 20.264 CG2 :: 20.715 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 :: 9.233 HA :: 4.064 HB :: 1.731 HG11 :: 0.583 HG12 :: 0.583 HG13 :: 0.583 HG21 :: 0.622 HG22 :: 0.622 HG23 :: 0.622 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 :: 123.353 Ave N Shift Values>> N :: 121.02(4.96) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.19 W 0.15 M 0.12 E 0.12 K 0.12 C Shift Assignments>> C :: 173.8 CA :: 54.034 CB :: 30.122 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 :: 8.522 HA :: 4.711 HB2 :: 1.782 HB3 :: 1.782 HG2 :: 2.063 HG3 :: 2.063 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 :: 126.306 Ave N Shift Values>> N :: 120.68(3.68) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.42 A 0.01 C Shift Assignments>> C :: 172.9 CA :: 53.335 CB :: 45.044 CG :: 26.289 CD1 :: 24.713 CD2 :: 23.857 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 :: 9.051 HA :: 4.642 HB2 :: 0.824 HB3 :: 1.271 HG :: 1.02 HD11 :: 0.04 HD12 :: 0.04 HD13 :: 0.04 HD21 :: 0.234 HD22 :: 0.234 HD23 :: 0.234 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 :: 127.385 Ave N Shift Values>> N :: 121.98(4.07) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.34 L 0.09 F 0.05 Y 0.05 K 0.01 C Shift Assignments>> C :: 174.3 CA :: 51.941 CB :: 40.066 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 :: 8.775 HA :: 5.002 HB2 :: 2.408 HB3 :: 2.043 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 :: 124.117 Ave N Shift Values>> N :: 120.73(4.2) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.92 A 0.04 R 0.01 C Shift Assignments>> C :: 173.8 CA :: 53.611 CB :: 41.476 CG :: 26.461 CD1 :: 24.832 CD2 :: 23.407 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 :: 9.178 HA :: 4.13 HB2 :: 1.95 HB3 :: 0.939 HG :: 1.679 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 HD21 :: 0.566 HD22 :: 0.566 HD23 :: 0.566 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) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.09 C Shift Assignments>> C :: 174.4 CA :: 53.03 CB :: 41.304 CG :: 26.087 CD1 :: 23.956 CD2 :: 23.074 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 :: 7.973 HA :: 4.635 HB2 :: 1.053 HB3 :: 1.188 HG :: 1.255 HD11 :: 0.544 HD12 :: 0.544 HD13 :: 0.544 HD21 :: 0.559 HD22 :: 0.559 HD23 :: 0.559 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 :: 120.84 Ave N Shift Values>> N :: 121.98(4.07) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 N 0.15 F 0.13 Y 0.12 K 0.08 R 0.01 HN Overlap>> 1.V43 1.V43 C Shift Assignments>> C :: 176.2 CA :: 54.758 CB :: 40.471 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 :: 8.329 HA :: 5.449 HB2 :: 3.187 HB3 :: 2.734 HD1 :: 6.929 HD2 :: 6.929 HE1 :: 6.956 HE2 :: 6.956 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 :: 119.872 Ave N Shift Values>> N :: 120.69(4.18) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.28 HN Overlap>> 1.F49 1.F49 C Shift Assignments>> CA :: 52.654 CB :: 17.751 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.839 HA :: 4.151 HB1 :: 1.341 HB2 :: 1.341 HB3 :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.04 Ave N Shift Values>> N :: 123.23(3.7) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.46 L 0.24 R 0.21 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.403 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.214 HA3 :: 3.679 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.19 R 0.13 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.5 CA :: 44.702 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.939 HA2 :: 3.679 HA3 :: 4.211 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.742 Ave N Shift Values>> N :: 109.91(4.29) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.23 M 0.05 C Shift Assignments>> C :: 174.1 CA :: 55.921 CB :: 32.315 CG :: 23.893 CD :: 27.955 CE :: 40.978 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 :: 7.374 HA :: 4.232 HB2 :: 1.59 HB3 :: 1.677 HG2 :: 1.097 HG3 :: 1.33 HD2 :: 1.289 HD3 :: 1.376 HE2 :: 2.633 HE3 :: 2.73 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 :: 121.725 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.2 CA :: 59.695 CB :: 34.318 CG1 :: 19.982 CG2 :: 19.983 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 :: 8.21 HA :: 5.188 HB :: 1.773 HG11 :: 0.796 HG12 :: 0.796 HG13 :: 0.796 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 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 :: 124.288 Ave N Shift Values>> N :: 121.02(4.96) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.22 A 0.06 C Shift Assignments>> C :: 173.4 CA :: 52.762 CB :: 45.692 CG :: 26.278 CD2 :: 23.115 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 :: 8.941 HA :: 4.747 HB2 :: 1.742 HB3 :: 1.44 HG :: 1.402 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 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 :: 128.766 Ave N Shift Values>> N :: 121.98(4.07) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 M 0.25 A 0.18 R 0.11 C Shift Assignments>> C :: 175.3 CA :: 55.419 CB :: 31.494 CG :: 22.858 CD :: 27.699 CE :: 39.679 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 :: 8.6 HA :: 4.969 HB2 :: 1.642 HB3 :: 1.572 HG2 :: 1.192 HG3 :: 1.31 HD2 :: 1.506 HD3 :: 1.506 HE2 :: 2.792 HE3 :: 2.83 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 :: 127.436 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 A 0.05 C Shift Assignments>> C :: 172.4 CA :: 58.68 CB :: 34.385 CG1 :: 20.343 CG2 :: 19.548 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 :: 9.182 HA :: 4.683 HB :: 2.021 HG11 :: 0.849 HG12 :: 0.849 HG13 :: 0.849 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 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 :: 123.023 Ave N Shift Values>> N :: 121.02(4.96) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.5 CA :: 60.28 CB :: 32.347 CG1 :: 20.948 CG2 :: 19.902 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 :: 8.097 HA :: 4.692 HB :: 1.758 HG11 :: 0.648 HG12 :: 0.648 HG13 :: 0.648 HG21 :: 0.751 HG22 :: 0.751 HG23 :: 0.751 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 :: 122.527 Ave N Shift Values>> N :: 121.02(4.96) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 A 0.08 L 0.04 HN Overlap>> 1.H46 1.H46 C Shift Assignments>> CA :: 49.721 CB :: 44.567 CG :: 25.503 CD1 :: 22.003 CD2 :: 25.116 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 :: 9.009 HA :: 5.019 HB2 :: 1.548 HB3 :: 1.082 HG :: 1.414 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 HD21 :: 0.573 HD22 :: 0.573 HD23 :: 0.573 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 :: 126.01 Ave N Shift Values>> N :: 121.98(4.07) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.5 CA :: 60.819 CB :: 31.333 CG :: 26.388 CD :: 49.718 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 :: 4.951 HB2 :: 2.187 HB3 :: 1.931 HG2 :: 2.373 HG3 :: 2.104 HD2 :: 4.146 HD3 :: 3.662 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.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.4 CA :: 60.134 CB :: 30.164 CG1 :: 21.384 CG2 :: 21.678 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 :: 8.504 HA :: 4.945 HB :: 2.225 HG11 :: 0.781 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 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 :: 121.306 Ave N Shift Values>> N :: 121.02(4.96) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 E 0.22 C Shift Assignments>> C :: 174.7 CA :: 54.067 CB :: 33.37 CG :: 35.291 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 :: 9.406 HA :: 4.857 HB2 :: 1.809 HB3 :: 1.809 HG2 :: 2.179 HG3 :: 2.179 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 :: 126.962 Ave N Shift Values>> N :: 120.68(3.68) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C Shift Assignments>> C :: 174.4 CA :: 50 CB :: 16.036 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.062 HA :: 4.847 HB1 :: 1.109 HB2 :: 1.109 HB3 :: 1.109 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.79 Ave N Shift Values>> N :: 123.23(3.7) 1.R120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.58 R 0.34 L 0.06 G 0.01 C Shift Assignments>> CA :: 56.474 CB :: 30.241 CG :: 24.95 CD :: 41.95 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 :: 7.88 HA :: 4.094 HB2 :: 1.402 HB3 :: 1.285 HG2 :: 0.821 HG3 :: 0.615(S) HD2 :: 2.235(S) HD3 :: 2.095(S) 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 :: 126.776 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 114 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 0 C Shift Results: #Consistent: 479 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 831 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y19 HB3 = 1.109(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.1298e-06 1.R31 HD3 = 2.15(S), Expected = 3.13, Std = 0.2200, ChiSquare = 8.4071e-06 1.A35 HB1 = 0.549(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.8736e-04 1.A35 HB2 = 0.549(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.8736e-04 1.A35 HB3 = 0.549(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.8736e-04 1.R62 HD3 = 2.171(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.3060e-05 1.P79 HD3 = 2.222(S), Expected = 3.63, Std = 0.4000, ChiSquare = 4.3155e-04 1.R120 HG3 = 0.615(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.5147e-04 1.R120 HD2 = 2.235(S), Expected = 3.13, Std = 0.2300, ChiSquare = 9.9707e-05 1.R120 HD3 = 2.095(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.5443e-06