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.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.36 L 0.31 K 0.09 C 0.08 F 0.05 G 0.03 Y 0.03 C Shift Assignments>> C :: 171.416 CA :: 42.947 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.813 HA3 :: 3.813 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 L 0.32 C 0.25 R 0.02 C Shift Assignments>> C :: 173.285 CA :: 53.710 CB :: 28.535 CG :: 24.606 CD :: 40.908 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 :: 7.896 HA :: 4.108 HB2 :: 1.505 HB3 :: 1.505 HG2 :: 1.335 HG3 :: 1.278 HD2 :: 2.999 HD3 :: 2.999 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 :: 119.788 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.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 Y 0.27 HN Overlap>> 1.C44 1.C44 C Shift Assignments>> C :: 171.598 CA :: 53.264 CB :: 35.907 CD1 :: 131.152 CD2 :: 131.152 CE1 :: 115.732 CE2 :: 115.732 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 :: 8.076 HA :: 4.757 HB2 :: 2.710 HB3 :: 2.976 HD1 :: 7.044 HD2 :: 7.044 HE1 :: 6.711 HE2 :: 6.711 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 :: 121.159 Ave N Shift Values>> N :: 120.79(4.69) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 G 0.06 P 0.05 C Shift Assignments>> C :: 174.672 CA :: 60.911 CB :: 29.823 CG :: 25.051 CD :: 48.289 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 :: 4.374 HB2 :: 1.832 HB3 :: 2.178 HG2 :: 1.892 HG3 :: 1.892 HD2 :: 3.653 HD3 :: 3.463 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.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.59 C 0.24 S 0.13 A 0.03 C Shift Assignments>> C :: 171.914 CA :: 59.398 CB :: 67.718 CG2 :: 19.229 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 :: 8.114 HA :: 4.283 HB :: 4.150 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.541 Ave N Shift Values>> N :: 115.7(5.05) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.23 Y 0.1 F 0.07 E 0.05 M 0.02 L 0.01 C Shift Assignments>> CA :: 53.515 CB :: 37.871 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>> HA :: 4.411 HB2 :: 2.804 HB3 :: 2.804 HD21 :: 7.459 HD22 :: 6.804 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>> ND2 :: 112.615 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.37 M 0.05 Y 0.02 P 0.02 E 0.02 F 0.01 K 0.01 C Shift Assignments>> C :: 172.510 CA :: 50.695 CB :: 36.441 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>> HA :: 4.528 HB2 :: 2.466 HB3 :: 2.583 HD21 :: 6.717 HD22 :: 7.356 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>> ND2 :: 112.356 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 F 0.17 C Shift Assignments>> C :: 173.833 CA :: 55.626 CB :: 37.344 CD1 :: 129.238 CD2 :: 129.238 CE1 :: 129.105 CE2 :: 129.105 CZ :: 127.473 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 :: 8.170 HA :: 4.558 HB2 :: 3.116 HB3 :: 2.863 HD1 :: 7.101 HD2 :: 7.101 HE1 :: 7.228 HE2 :: 7.228 HZ :: 7.168 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 :: 119.470 Ave N Shift Values>> N :: 120.69(4.18) 1.G15 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 C 0.08 F 0.06 Y 0.03 G 0.03 C Shift Assignments>> C :: 170.233 CA :: 42.866 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.249 HA2 :: 3.831 HA3 :: 4.046 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.171 Ave N Shift Values>> N :: 109.91(4.29) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.28 G 0.08 F 0.02 Y 0.02 L 0.01 C Shift Assignments>> C :: 171.087 CA :: 48.963 CB :: 39.080 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 :: 7.812 HA :: 4.606 HB2 :: 2.072 HB3 :: 2.072 HD21 :: 7.003 HD22 :: 6.595 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 :: 115.749 ND2 :: 111.994 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 K 0.19 Q 0.18 C 0.16 E 0.13 L 0.08 M 0.01 C Shift Assignments>> C :: 175.041 CA :: 57.852 CB :: 28.087 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.354 HA :: 3.837 HB2 :: 3.087 HB3 :: 2.491 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.970 Ave N Shift Values>> N :: 119.95(4.79) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.11 S 0.05 C Shift Assignments>> C :: 171.942 CA :: 63.924 CB :: 66.742 CG2 :: 19.059 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 :: 8.306 HA :: 3.742 HB :: 3.072 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 126.828 Ave N Shift Values>> N :: 115.7(5.05) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.25 R 0.25 C 0.1 F 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.486 CA :: 44.182 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.488 HA2 :: 4.306 HA3 :: 4.306 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.732 Ave N Shift Values>> N :: 109.91(4.29) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 E 0.19 C 0.18 Q 0.15 M 0.12 K 0.1 V 0.01 C Shift Assignments>> C :: 174.311 CA :: 56.666 CB :: 30.638 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.317 HA :: 4.917 HB2 :: 3.128 HB3 :: 2.441 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.298 Ave N Shift Values>> N :: 119.95(4.79) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 170.625 CA :: 58.877 CB :: 60.045 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.781 HA :: 4.111 HB2 :: 3.900 HB3 :: 4.077 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.071 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>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 174.792 CA :: 50.994 CB :: 17.605 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.569 HA :: 4.078 HB1 :: 1.197 HB2 :: 1.197 HB3 :: 1.197 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.261 Ave N Shift Values>> N :: 123.23(3.7) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.2 S 0.13 A 0.01 C Shift Assignments>> C :: 172.772 CA :: 59.610 CB :: 67.511 CG2 :: 19.741 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 :: 8.124 HA :: 4.099 HB :: 3.903 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 115.708 Ave N Shift Values>> N :: 115.7(5.05) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 173.079 CA :: 55.323 CB :: 36.485 CD1 :: 129.067 CD2 :: 129.067 CE1 :: 128.059 CE2 :: 128.059 CZ :: 125.305 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 :: 7.908 HA :: 4.884 HB2 :: 3.245 HB3 :: 2.624 HD1 :: 7.009 HD2 :: 7.009 HE1 :: 6.815 HE2 :: 6.815 HZ :: 6.487 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.827 Ave N Shift Values>> N :: 120.69(4.18) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 55.291 CB :: 63.455 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.393 HB2 :: 3.769 HB3 :: 4.058 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.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 V 0.25 C Shift Assignments>> C :: 174.090 CA :: 62.359 CB :: 29.545 CG1 :: 18.708 CG2 :: 18.708 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>> HA :: 3.850 HB :: 2.045 HG11 :: 0.897 HG12 :: 0.897 HG13 :: 0.897 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 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) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 C 0.28 L 0.04 C Shift Assignments>> C :: 174.876 CA :: 53.229 CB :: 40.424 CG :: 24.627 CD1 :: 22.545 CD2 :: 20.468 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 :: 7.625 HA :: 4.169 HB2 :: 1.401 HB3 :: 1.453 HG :: 1.457 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 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 :: 118.098 Ave N Shift Values>> N :: 121.98(4.07) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 A 0.33 L 0.05 R 0.01 M 0.01 C Shift Assignments>> C :: 172.232 CA :: 52.946 CB :: 29.818 CG :: 22.231 CD :: 26.640 CE :: 39.514 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 :: 7.540 HA :: 4.379 HB2 :: 1.660 HB3 :: 1.827 HG2 :: 1.297 HG3 :: 1.297 HD2 :: 1.577 HD3 :: 1.577 HE2 :: 2.861 HE3 :: 2.861 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 :: 122.488 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 K 0.1 A 0.09 R 0.04 M 0.03 C Shift Assignments>> C :: 174.333 CA :: 54.192 CB :: 31.348 CG :: 22.954 CD :: 26.924 CE :: 39.900 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 :: 7.842 HA :: 4.190 HB2 :: 1.691 HB3 :: 1.583 HG2 :: 1.356 HG3 :: 1.308 HD2 :: 1.587 HD3 :: 1.587 HE2 :: 2.929 HE3 :: 2.929 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 :: 121.741 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.37 C 0.31 L 0.25 A 0.02 R 0.01 C Shift Assignments>> C :: 173.109 CA :: 53.598 CB :: 29.013 CG :: 23.761 CD :: 40.970 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 :: 7.908 HA :: 3.680 HB2 :: 0.534(S) HB3 :: 0.784(S) HG2 :: 0.656(S) HG3 :: 0.656(S) HD2 :: 2.491 HD3 :: 2.606 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 :: 121.104 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.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.4 R 0.08 A 0.02 G 0.01 L 0.01 C Shift Assignments>> C :: 172.468 CA :: 52.512 CB :: 31.052 CG :: 24.053 CD :: 41.589 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 :: 9.142 HA :: 4.448 HB2 :: 1.555 HB3 :: 1.555 HG2 :: 1.453 HG3 :: 1.359 HD2 :: 2.847 HD3 :: 2.792 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 :: 124.475 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.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 C 0.07 HN Overlap>> 1.C36 1.C36 C Shift Assignments>> C :: 172.032 CA :: 54.570 CB :: 61.586 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.573 HA :: 5.167 HB2 :: 3.500 HB3 :: 3.500 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.968 Ave N Shift Values>> N :: 116.3(3.95) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 K 0.19 Q 0.19 C 0.17 R 0.15 M 0.04 L 0.02 V 0.01 C Shift Assignments>> C :: 175.914 CA :: 57.939 CB :: 29.177 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.712 HA :: 4.232 HB2 :: 3.585 HB3 :: 2.981 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 127.133 Ave N Shift Values>> N :: 119.95(4.79) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.616 CA :: 59.645 CB :: 61.445 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.414 HA :: 4.159 HB2 :: 3.686 HB3 :: 3.819 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 :: 125.467 Ave N Shift Values>> N :: 116.3(3.95) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.23 Y 0.11 F 0.07 E 0.05 M 0.02 L 0.02 C Shift Assignments>> C :: 172.511 CA :: 53.722 CB :: 37.964 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 :: 9.138 HA :: 4.919 HB2 :: 3.521 HB3 :: 2.264 HD21 :: 7.043 HD22 :: 8.601 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 :: 120.308 ND2 :: 115.445 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 Q 0.19 R 0.18 C 0.16 K 0.16 M 0.06 V 0.01 L 0.01 HN Overlap>> 1.S32 1.S32 C Shift Assignments>> C :: 174.566 CA :: 57.177 CB :: 29.723 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.573 HA :: 4.732 HB2 :: 3.181 HB3 :: 2.740 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.041 Ave N Shift Values>> N :: 119.95(4.79) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.27 G 0.25 C 0.1 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.731 CA :: 44.016 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.640 HA2 :: 4.077 HA3 :: 3.909 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.163 Ave N Shift Values>> N :: 109.91(4.29) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 C 0.24 Y 0.04 F 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 171.499 CA :: 51.501 CB :: 37.581 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 :: 8.136 HA :: 4.794 HB2 :: 3.127 HB3 :: 2.548 HD21 :: 7.588 HD22 :: 7.274 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 :: 119.155 ND2 :: 115.149 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.636 CA :: 56.578 CB :: 62.027 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.582 HA :: 4.868 HB2 :: 3.535 HB3 :: 3.836 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 :: 113.403 Ave N Shift Values>> N :: 116.3(3.95) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.17 F 0.07 Y 0.01 C Shift Assignments>> C :: 171.996 CA :: 54.813 CB :: 45.073 CD1 :: 130.033 CD2 :: 130.033 CZ :: 128.633 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.347 HA :: 6.162 HB2 :: 3.492 HB3 :: 2.448 HD1 :: 7.192 HD2 :: 7.192 HE1 :: 7.086 HE2 :: 7.086 HZ :: 7.577 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.885 Ave N Shift Values>> N :: 120.69(4.18) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.22 K 0.21 C 0.16 E 0.14 R 0.13 M 0.05 L 0.05 C Shift Assignments>> C :: 173.785 CA :: 55.362 CB :: 29.013 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.069 HA :: 5.154 HB2 :: 3.461 HB3 :: 2.760 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.220 Ave N Shift Values>> N :: 119.95(4.79) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 173.508 CA :: 59.312 CB :: 60.086 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.850 HA :: 3.516 HB2 :: 3.674 HB3 :: 3.625 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 :: 113.356 Ave N Shift Values>> N :: 116.3(3.95) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 L 0.33 C 0.26 R 0.03 HN Overlap>> 1.F47 1.F47 C Shift Assignments>> C :: 176.959 CA :: 56.651 CB :: 27.913 CG :: 24.989 CD :: 40.952 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 :: 7.948 HA :: 3.936 HB2 :: 1.845 HB3 :: 1.907 HG2 :: 1.612 HG3 :: 1.513 HD2 :: 3.080 HD3 :: 3.080 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.526 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.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.15 K 0.14 R 0.13 Q 0.11 P 0.07 V 0.05 M 0.01 L 0.01 HN Overlap>> 1.Y9 1.Y9 C Shift Assignments>> C :: 172.878 CA :: 60.618 CB :: 28.658 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.183 HA :: 4.060 HB2 :: 3.320 HB3 :: 3.085 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.163 Ave N Shift Values>> N :: 119.95(4.79) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 K 0.26 C 0.12 R 0.05 M 0.05 Q 0.01 C Shift Assignments>> C :: 170.819 CA :: 54.286 CB :: 24.234 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.521 HA :: 4.591 HB2 :: 1.901 HB3 :: 2.570 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.669 Ave N Shift Values>> N :: 119.95(4.79) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 171.666 CA :: 55.180 CB :: 61.776 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.106 HA :: 4.192 HB2 :: 3.673 HB3 :: 3.633 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 :: 111.839 Ave N Shift Values>> N :: 116.3(3.95) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 F 0.15 HN Overlap>> 1.R43 1.R43 C Shift Assignments>> C :: 172.466 CA :: 56.507 CB :: 36.013 CD1 :: 129.932 CD2 :: 129.932 CE1 :: 128.835 CE2 :: 128.835 CZ :: 127.274 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 :: 7.955 HA :: 4.325 HB2 :: 2.983 HB3 :: 2.650 HD1 :: 7.219 HD2 :: 7.219 HE1 :: 7.210 HE2 :: 7.210 HZ :: 7.209 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 :: 122.484 Ave N Shift Values>> N :: 120.69(4.18) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 A 0.16 M 0.03 K 0.03 R 0.01 C Shift Assignments>> C :: 174.580 CA :: 53.440 CB :: 31.496 CG :: 22.804 CD :: 26.987 CE :: 39.399 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 :: 8.504 HA :: 4.732 HB2 :: 1.542 HB3 :: 1.327 HG2 :: 1.207 HG3 :: 0.777 HD2 :: 1.399 HD3 :: 1.399 HE2 :: 2.646 HE3 :: 2.646 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 :: 123.111 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 A 0.31 V 0.02 C Shift Assignments>> C :: 170.651 CA :: 55.838 CB :: 31.290 CG1 :: 19.777 CG2 :: 17.670 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 :: 8.597 HA :: 4.624 HB :: 1.956 HG11 :: 0.772 HG12 :: 0.772 HG13 :: 0.772 HG21 :: 0.586 HG22 :: 0.586 HG23 :: 0.586 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 :: 119.671 Ave N Shift Values>> N :: 121.02(4.96) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 G 0.05 P 0.02 C Shift Assignments>> C :: 175.794 CA :: 60.015 CB :: 29.557 CG :: 25.358 CD :: 48.286 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 :: 4.534 HB2 :: 2.180 HB3 :: 1.900 HG2 :: 1.945 HG3 :: 1.853 HD2 :: 3.546 HD3 :: 3.693 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.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 K 0.13 R 0.05 M 0.02 L 0.01 A 0.01 C Shift Assignments>> C :: 175.463 CA :: 56.331 CB :: 30.563 CG :: 23.463 CD :: 27.195 CE :: 39.777 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 :: 8.598 HA :: 3.864 HB2 :: 1.733 HB3 :: 1.589 HG2 :: 1.292 HG3 :: 1.292 HD2 :: 1.530 HD3 :: 1.530 HE2 :: 2.750 HE3 :: 2.794 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.493 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> 1.S71 1.S71 C Shift Assignments>> C :: 173.557 CA :: 56.930 CB :: 60.727 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.254 HA :: 4.304 HB2 :: 3.855 HB3 :: 3.656 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 :: 114.682 Ave N Shift Values>> N :: 116.3(3.95) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.292 CA :: 57.615 CB :: 61.033 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.100 HA :: 4.286 HB2 :: 3.818 HB3 :: 3.818 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.596 Ave N Shift Values>> N :: 116.3(3.95) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.33 A 0.11 C Shift Assignments>> C :: 174.074 CA :: 53.264 CB :: 30.648 CG :: 29.847 CE :: 14.785 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 :: 7.807 HA :: 4.372 HB2 :: 1.898 HB3 :: 2.138 HG2 :: 2.382 HG3 :: 2.382 HE1 :: 1.878 HE2 :: 1.878 HE3 :: 1.878 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 :: 119.703 Ave N Shift Values>> N :: 120.1(3.88) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.32 K 0.11 C 0.08 F 0.06 Y 0.03 G 0.03 C Shift Assignments>> C :: 171.468 CA :: 42.864 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.868 HA2 :: 4.019 HA3 :: 3.700 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.872 Ave N Shift Values>> N :: 109.91(4.29) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> C :: 175.732 CA :: 50.465 CB :: 16.934 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.707 HA :: 4.239 HB1 :: 1.219 HB2 :: 1.219 HB3 :: 1.219 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.785 Ave N Shift Values>> N :: 123.23(3.7) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.52 C 0.24 S 0.18 A 0.04 C Shift Assignments>> C :: 172.058 CA :: 59.198 CB :: 67.515 CG2 :: 19.344 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 :: 8.042 HA :: 4.203 HB :: 4.110 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 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 :: 112.053 Ave N Shift Values>> N :: 115.7(5.05) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 A 0.36 M 0.09 C 0.01 C Shift Assignments>> C :: 173.977 CA :: 48.540 CB :: 15.606 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.000 HA :: 4.485 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.054 Ave N Shift Values>> N :: 123.23(3.7) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.72 P 0.14 G 0.13 C Shift Assignments>> C :: 175.925 CA :: 62.358 CB :: 29.532 CG :: 25.334 CD :: 48.098 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 :: 4.206 HB2 :: 1.817 HB3 :: 2.240 HG2 :: 1.946 HG3 :: 2.019 HD2 :: 3.643 HD3 :: 3.757 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.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.21 R 0.11 E 0.04 M 0.02 C Shift Assignments>> C :: 174.736 CA :: 55.681 CB :: 26.574 CG :: 33.873 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 :: 8.851 HA :: 4.019 HB2 :: 1.955 HB3 :: 1.884 HG2 :: 2.165 HG3 :: 2.165 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 :: 117.471 Ave N Shift Values>> N :: 120.68(3.68) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 C Shift Assignments>> C :: 175.732 CA :: 50.796 CB :: 16.911 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.830 HA :: 4.191 HB1 :: 1.284 HB2 :: 1.284 HB3 :: 1.284 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.050 Ave N Shift Values>> N :: 123.23(3.7) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.35 K 0.17 Q 0.06 M 0.02 C Shift Assignments>> C :: 173.924 CA :: 54.386 CB :: 26.794 CG :: 31.620 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.785 HA :: 4.138 HB2 :: 1.900 HB3 :: 2.030 HG2 :: 2.291 HG3 :: 2.291 HE21 :: 7.394 HE22 :: 6.759 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 :: 116.223 NE2 :: 111.761 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 L 0.32 C 0.23 R 0.03 C Shift Assignments>> C :: 173.853 CA :: 53.621 CB :: 28.470 CG :: 24.864 CD :: 41.095 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 :: 7.879 HA :: 4.261 HB2 :: 1.823 HB3 :: 1.661 HG2 :: 1.517 HG3 :: 1.517 HD2 :: 3.085 HD3 :: 3.085 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 :: 118.208 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.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.26 K 0.25 E 0.08 R 0.05 M 0.04 C Shift Assignments>> C :: 173.697 CA :: 53.934 CB :: 28.736 CG :: 33.963 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 :: 7.844 HA :: 4.278 HB2 :: 1.885 HB3 :: 1.854 HG2 :: 2.079 HG3 :: 2.245 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 :: 121.244 Ave N Shift Values>> N :: 120.68(3.68) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 C 0.27 A 0.17 S 0.01 C Shift Assignments>> C :: 171.512 CA :: 58.164 CB :: 69.029 CG2 :: 19.084 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 :: 8.212 HA :: 4.696 HB :: 3.734 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 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 :: 114.387 Ave N Shift Values>> N :: 115.7(5.05) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 A 0.11 V 0.02 C Shift Assignments>> C :: 171.803 CA :: 57.142 CB :: 32.295 CG1 :: 20.139 CG2 :: 16.626 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 :: 8.498 HA :: 4.323 HB :: 2.209 HG11 :: 0.737 HG12 :: 0.737 HG13 :: 0.737 HG21 :: 0.560 HG22 :: 0.560 HG23 :: 0.560 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 :: 116.267 Ave N Shift Values>> N :: 121.02(4.96) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 F 0.23 C Shift Assignments>> C :: 174.827 CA :: 54.897 CB :: 39.413 CD1 :: 129.128 CD2 :: 129.128 CE1 :: 129.030 CE2 :: 129.030 CZ :: 127.186 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 :: 8.319 HA :: 5.444 HB2 :: 2.983 HB3 :: 2.738 HD1 :: 6.975 HD2 :: 6.975 HE1 :: 7.136 HE2 :: 7.136 HZ :: 7.130 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.973 Ave N Shift Values>> N :: 120.69(4.18) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 A 0.17 C Shift Assignments>> C :: 172.199 CA :: 56.507 CB :: 34.866 CG1 :: 20.168 CG2 :: 16.607 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 :: 9.281 HA :: 5.565 HB :: 2.196 HG11 :: 0.705 HG12 :: 0.705 HG13 :: 0.705 HG21 :: 0.719 HG22 :: 0.719 HG23 :: 0.719 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 :: 115.892 Ave N Shift Values>> N :: 121.02(4.96) 1.C69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.21 C 0.18 R 0.17 K 0.16 E 0.14 M 0.09 L 0.02 C Shift Assignments>> C :: 173.207 CA :: 54.674 CB :: 29.628 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.470 HA :: 4.843 HB2 :: 2.366 HB3 :: 1.378(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.620 Ave N Shift Values>> N :: 119.95(4.79) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.45 C 0.01 C Shift Assignments>> C :: 178.345 CA :: 53.246 CB :: 16.371 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.326 HA :: 3.264 HB1 :: 1.366 HB2 :: 1.366 HB3 :: 1.366 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.778 Ave N Shift Values>> N :: 123.23(3.7) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S52 1.S52 C Shift Assignments>> C :: 175.501 CA :: 59.350 CB :: 60.333 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.161 HA :: 4.112 HB2 :: 3.953 HB3 :: 3.953 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 :: 114.698 Ave N Shift Values>> N :: 116.3(3.95) 1.C72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 C 0.15 R 0.05 K 0.01 V 0.01 C Shift Assignments>> C :: 175.053 CA :: 62.641 CB :: 26.456 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.809 HA :: 3.834 HB2 :: 2.460 HB3 :: 2.973 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.365 Ave N Shift Values>> N :: 119.95(4.79) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.21 E 0.17 Y 0.13 F 0.07 M 0.06 K 0.02 C Shift Assignments>> C :: 174.900 CA :: 54.905 CB :: 37.053 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 :: 8.723 HA :: 3.921 HB2 :: 2.122 HB3 :: 2.057 HD21 :: 6.982 HD22 :: 6.492 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 :: 117.675 ND2 :: 114.158 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.32 K 0.27 M 0.02 Q 0.02 C Shift Assignments>> C :: 175.776 CA :: 56.320 CB :: 26.019 CG :: 31.400 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.434 HA :: 3.837 HB2 :: 2.067 HB3 :: 2.067 HG2 :: 2.268 HG3 :: 2.325 HE21 :: 7.362 HE22 :: 6.742 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 :: 116.647 NE2 :: 111.698 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.12 S 0.09 C Shift Assignments>> C :: 174.023 CA :: 62.924 CB :: 66.726 CG2 :: 19.452 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 :: 7.641 HA :: 3.924 HB :: 4.075 HG21 :: 1.111 HG22 :: 1.111 HG23 :: 1.111 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 :: 114.072 Ave N Shift Values>> N :: 115.7(5.05) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 C 0.36 L 0.04 C Shift Assignments>> C :: 176.072 CA :: 54.251 CB :: 39.859 CG :: 24.692 CD1 :: 23.625 CD2 :: 19.910 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 :: 8.226 HA :: 4.082 HB2 :: 1.577 HB3 :: 1.351 HG :: 1.629 HD11 :: 0.621 HD12 :: 0.621 HD13 :: 0.621 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 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 :: 120.650 Ave N Shift Values>> N :: 121.98(4.07) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.276 CA :: 57.071 CB :: 61.215 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.709 HA :: 4.249 HB2 :: 3.803 HB3 :: 3.803 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 :: 113.626 Ave N Shift Values>> N :: 116.3(3.95) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 A 0.21 R 0.04 L 0.03 K 0.02 M 0.01 C Shift Assignments>> C :: 174.239 CA :: 54.145 CB :: 30.234 CG :: 22.278 CD :: 26.676 CE :: 39.852 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 :: 7.644 HA :: 4.249 HB2 :: 1.720 HB3 :: 1.811 HG2 :: 1.383 HG3 :: 1.325 HD2 :: 1.573 HD3 :: 1.573 HE2 :: 2.882 HE3 :: 2.882 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 :: 121.356 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.221 CA :: 56.084 CB :: 61.528 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.037 HA :: 4.395 HB2 :: 3.778 HB3 :: 3.778 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.559 Ave N Shift Values>> N :: 116.3(3.95) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 K 0.2 R 0.17 F 0.08 C 0.08 Y 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 169.462 CA :: 42.342 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.107 HA2 :: 4.061 HA3 :: 3.980 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.215 Ave N Shift Values>> N :: 109.91(4.29) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.8 G 0.17 C Shift Assignments>> C :: 175.069 CA :: 60.832 CB :: 29.725 CG :: 24.864 CD :: 47.604 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 :: 4.374 HB2 :: 2.184 HB3 :: 1.864 HG2 :: 1.895 HG3 :: 1.895 HD2 :: 3.521 HD3 :: 3.521 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.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.278 CA :: 55.943 CB :: 61.610 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.429 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 :: 116.016 Ave N Shift Values>> N :: 116.3(3.95) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 171.591 CA :: 56.049 CB :: 61.692 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.378 HB2 :: 3.779 HB3 :: 3.779 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.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.28 G 0.19 C 0.1 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 176.599 CA :: 43.839 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.955 HA2 :: 3.645 HA3 :: 3.684 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.467 Ave N Shift Values>> N :: 109.91(4.29) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 82 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 78 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 84 #Suspicious: 0 C Shift Results: #Consistent: 311 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 462 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 76 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R30 HB2 = 0.534(S), Expected = 1.79, Std = 0.2800, ChiSquare = 7.2670e-06 1.R30 HB3 = 0.784(S), Expected = 1.78, Std = 0.2800, ChiSquare = 3.7491e-04 1.R30 HG2 = 0.656(S), Expected = 1.58, Std = 0.2700, ChiSquare = 6.2112e-04 1.R30 HG3 = 0.656(S), Expected = 1.58, Std = 0.2700, ChiSquare = 6.2112e-04 1.C69 HB3 = 1.378(S), Expected = 2.98, Std = 0.4500, ChiSquare = 3.7085e-04